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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)C3CCCN(C3)CC4=CC=C(C=C4)SC

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)[C@H]3CCCN(C3)CC4=CC=C(C=C4)SC

InChI

InChI=1S/C24H33N3OS/c1-28-23-9-7-21(8-10-23)26-14-16-27(17-15-26)22-4-3-13-25(19-22)18-20-5-11-24(29-2)12-6-20/h5-12,22H,3-4,13-19H2,1-2H3/p+1/t22-/m0/s1