N-[(2-methoxyphenyl)methyl]-6-(4-methylsulfanylphenyl)-2-(4-oxidanylpiperidin-1-yl)pyridin-1-ium-3-carboxamide

Systemtic Name: N-[(2-methoxyphenyl)methyl]-6-(4-methylsulfanylphenyl)-2-(4-oxidanylpiperidin-1-yl)pyridin-1-ium-3-carboxamide Openeye Name: 2-(4-hydroxy-1-piperidyl)-N-[(2-methoxyphenyl)methyl]-6-(4-methylsulfanylphenyl)pyridin-1-ium-3-carboxamide CAS Name: 2-(4-hydroxy-1-piperidinyl)-N-[(2-methoxyphenyl)methyl]-6-[4-(methylthio)phenyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 2-(4-hydroxypiperidin-1-yl)-N-[(2-methoxyphenyl)methyl]-6-(4-methylsulfanylphenyl)pyridin-1-ium-3-carboxamide Traditional Name: 2-(4-hydroxypiperidino)-6-[4-(methylthio)phenyl]-N-o-anisyl-pyridin-1-ium-3-carboxamide Formula: C26H30N3O3S+ MolecularWeight: 464.5997

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC(=O)C2=C([NH+]=C(C=C2)C3=CC=C(C=C3)SC)N4CCC(CC4)O

Isomeric SMILES

COC1=CC=CC=C1CNC(=O)C2=C([NH+]=C(C=C2)C3=CC=C(C=C3)SC)N4CCC(CC4)O

InChI

InChI=1S/C26H29N3O3S/c1-32-24-6-4-3-5-19(24)17-27-26(31)22-11-12-23(18-7-9-21(33-2)10-8-18)28-25(22)29-15-13-20(30)14-16-29/h3-12,20,30H,13-17H2,1-2H3,(H,27,31)/p+1