N-BENZYLQUINIDINIUM CHLORIDE

The CAS register number of (3α,9S)-1-Benzyl-9-hydroxy-6'-methoxycinchonan-1-ium chloride is 77481-82-4. It also can be called as Cinchonanium,9-hydroxy-6'-methoxy-1-(phenylmethyl)-, chloride (1:1), (9S)- and the systematic name about this chemical is (3α,9S)-1-benzyl-6'-methoxycinchonan-1-ium-9-ol chloride. The molecular formula about this chemical is C₂₇H₃₁ClN₂O₂ and the molecular weight is 451. It belongs to the following product categories which include Alkaloids; Alkoxyquinolines; Ammonium Chlorides (Quaternary); Asymmetric Synthesis; Biochemistry; Chiral Phase-Transfer Catalysts; Quaternary Ammonium Compounds; Quinoline Alkaloids; Quinolines; Synthetic Organic Chemistry and so on.

Physical properties about (3α,9S)-1-Benzyl-9-hydroxy-6'-methoxycinchonan-1-ium chloride are: (1)#H bond acceptors: 4; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 7; (4)Polar Surface Area: 42.35Ų.

You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].C=C[C@H]5C[N+]2(Cc1ccccc1)CC[C@H]5C[C@@H]2[C@@H](O)c3ccnc4ccc(cc34)OC
(2)InChI: InChI=1/C27H31N2O2.ClH/c1-3-20-18-29(17-19-7-5-4-6-8-19)14-12-21(20)15-26(29)27(30)23-11-13-28-25-10-9-22(31-2)16-24(23)25;/h3-11,13,16,20-21,26-27,30H,1,12,14-15,17-18H2,2H3;1H/q+1;/p-1/t20-,21-,26+,27-,29?;/m0./s1
(3)InChIKey: JYDIJFKNXHPWBJ-LNUXCXFGBR
(4)Std. InChI: InChI=1S/C27H31N2O2.ClH/c1-3-20-18-29(17-19-7-5-4-6-8-19)14-12-21(20)15-26(29)27(30)23-11-13-28-25-10-9-22(31-2)16-24(23)25;/h3-11,13,16,20-21,26-27,30H,1,12,14-15,17-18H2,2H3;1H/q+1;/p-1/t20-,21-,26+,27-,29?;/m0./s1
(5)Std. InChIKey: JYDIJFKNXHPWBJ-FBBRVDCYSA-M