N-(furan-2-ylmethyl)-3-(4-methylphenyl)-N-[[7-methylsulfanyl-2-(4-oxidanylpiperidin-1-yl)quinolin-1-ium-3-yl]methyl]propanamide

Systemtic Name: N-(furan-2-ylmethyl)-3-(4-methylphenyl)-N-[[7-methylsulfanyl-2-(4-oxidanylpiperidin-1-yl)quinolin-1-ium-3-yl]methyl]propanamide Openeye Name: N-(2-furylmethyl)-N-[[2-(4-hydroxy-1-piperidyl)-7-methylsulfanyl-quinolin-1-ium-3-yl]methyl]-3-(p-tolyl)propanamide CAS Name: N-(2-furanylmethyl)-N-[[2-(4-hydroxy-1-piperidinyl)-7-(methylthio)-3-quinolin-1-iumyl]methyl]-3-(4-methylphenyl)propanamide IUPAC Name: N-(furan-2-ylmethyl)-N-[[2-(4-hydroxypiperidin-1-yl)-7-methylsulfanylquinolin-1-ium-3-yl]methyl]-3-(4-methylphenyl)propanamide Traditional Name: N-(2-furfuryl)-N-[[2-(4-hydroxypiperidino)-7-(methylthio)quinolin-1-ium-3-yl]methyl]-3-(p-tolyl)propionamide Formula: C31H36N3O3S+ MolecularWeight: 530.70084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(=O)N(CC2=CC=CO2)CC3=C([NH+]=C4C=C(C=CC4=C3)SC)N5CCC(CC5)O

Isomeric SMILES

CC1=CC=C(C=C1)CCC(=O)N(CC2=CC=CO2)CC3=C([NH+]=C4C=C(C=CC4=C3)SC)N5CCC(CC5)O

InChI

InChI=1S/C31H35N3O3S/c1-22-5-7-23(8-6-22)9-12-30(36)34(21-27-4-3-17-37-27)20-25-18-24-10-11-28(38-2)19-29(24)32-31(25)33-15-13-26(35)14-16-33/h3-8,10-11,17-19,26,35H,9,12-16,20-21H2,1-2H3/p+1