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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3CCC[NH+](C3)CC4=CC(=CC=C4)SC

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)[C@H]3CCC[NH+](C3)CC4=CC(=CC=C4)SC

InChI

InChI=1S/C24H33N3OS/c1-28-23-10-8-21(9-11-23)26-13-15-27(16-14-26)22-6-4-12-25(19-22)18-20-5-3-7-24(17-20)29-2/h3,5,7-11,17,22H,4,6,12-16,18-19H2,1-2H3/p+1/t22-/m0/s1