1-(2-methoxyphenyl)-4-[(3S)-1-[(3-methylsulfanylphenyl)methyl]piperidin-3-yl]piperazin-4-ium

Systemtic Name: 1-(2-methoxyphenyl)-4-[(3S)-1-[(3-methylsulfanylphenyl)methyl]piperidin-3-yl]piperazin-4-ium Openeye Name: 1-(2-methoxyphenyl)-4-[(3S)-1-[(3-methylsulfanylphenyl)methyl]-3-piperidyl]piperazin-4-ium CAS Name: 1-(2-methoxyphenyl)-4-[(3S)-1-[[3-(methylthio)phenyl]methyl]-3-piperidinyl]piperazin-4-ium IUPAC Name: 1-(2-methoxyphenyl)-4-[(3S)-1-[(3-methylsulfanylphenyl)methyl]piperidin-3-yl]piperazin-4-ium Traditional Name: 1-(2-methoxyphenyl)-4-[(3S)-1-[3-(methylthio)benzyl]-3-piperidyl]piperazin-4-ium Formula: C24H34N3OS+ MolecularWeight: 412.61126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)CC4=CC(=CC=C4)SC

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)CC4=CC(=CC=C4)SC

InChI

InChI=1S/C24H33N3OS/c1-28-24-11-4-3-10-23(24)27-15-13-26(14-16-27)21-8-6-12-25(19-21)18-20-7-5-9-22(17-20)29-2/h3-5,7,9-11,17,21H,6,8,12-16,18-19H2,1-2H3/p+1/t21-/m0/s1