2-methyl-N-(3-methylsulfanylphenyl)-N-[[2-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-[2-(3,4,5-trimethoxyphenyl)pyridin-4-yl]piperidin-1-ium-1-amine dihydrochloride

Systemtic Name: 2-methyl-N-(3-methylsulfanylphenyl)-N-[[2-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-[2-(3,4,5-trimethoxyphenyl)pyridin-4-yl]piperidin-1-ium-1-amine dihydrochloride Openeye Name: 2-methyl-N-(3-methylsulfanylphenyl)-N-[[2-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-[2-(3,4,5-trimethoxyphenyl)-4-pyridyl]piperidin-1-ium-1-amine dihydrochloride CAS Name: 2-methyl-N-[3-(methylthio)phenyl]-N-[[2-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]-1-piperidin-1-iumamine dihydrochloride IUPAC Name: 2-methyl-N-(3-methylsulfanylphenyl)-N-[[2-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-[2-(3,4,5-trimethoxyphenyl)pyridin-4-yl]piperidin-1-ium-1-amine dihydrochloride Traditional Name: [3-(methylthio)phenyl]-[2-methyl-1-[2-(3,4,5-trimethoxyphenyl)-4-pyridyl]piperidin-1-ium-1-yl]-[2-(3,4,5-trimethoxyphenyl)benzyl]amine dihydrochloride Formula: C43H52Cl2N3O6S+ MolecularWeight: 809.86048

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[N+]1(C2=CC(=NC=C2)C3=CC(=C(C(=C3)OC)OC)OC)N(CC4=CC=CC=C4C5=CC(=C(C(=C5)OC)OC)OC)C6=CC(=CC=C6)SC.Cl.Cl

Isomeric SMILES

CC1CCCC[N+]1(C2=CC(=NC=C2)C3=CC(=C(C(=C3)OC)OC)OC)N(CC4=CC=CC=C4C5=CC(=C(C(=C5)OC)OC)OC)C6=CC(=CC=C6)SC.Cl.Cl

InChI

InChI=1S/C43H50N3O6S.2ClH/c1-29-14-11-12-21-46(29,34-19-20-44-37(27-34)32-24-40(49-4)43(52-7)41(25-32)50-5)45(33-16-13-17-35(26-33)53-8)28-30-15-9-10-18-36(30)31-22-38(47-2)42(51-6)39(23-31)48-3;;/h9-10,13,15-20,22-27,29H,11-12,14,21,28H2,1-8H3;2*1H/q+1;;