1-(2-methoxyphenyl)-4-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]piperazin-4-ium

Systemtic Name: 1-(2-methoxyphenyl)-4-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]piperazin-4-ium Openeye Name: 1-(2-methoxyphenyl)-4-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]piperazin-4-ium CAS Name: 1-(2-methoxyphenyl)-4-[1-[[4-(methylthio)phenyl]methyl]-4-piperidin-1-iumyl]piperazin-4-ium IUPAC Name: 1-(2-methoxyphenyl)-4-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]piperazin-4-ium Traditional Name: 1-(2-methoxyphenyl)-4-[1-[4-(methylthio)benzyl]piperidin-1-ium-4-yl]piperazin-4-ium Formula: C24H35N3OS+2 MolecularWeight: 413.6192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)C3CC[NH+](CC3)CC4=CC=C(C=C4)SC

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)C3CC[NH+](CC3)CC4=CC=C(C=C4)SC

InChI

InChI=1S/C24H33N3OS/c1-28-24-6-4-3-5-23(24)27-17-15-26(16-18-27)21-11-13-25(14-12-21)19-20-7-9-22(29-2)10-8-20/h3-10,21H,11-19H2,1-2H3/p+2