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

Systemtic Name: 1-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-4-phenyl-piperazin-1-ium Openeye Name: 1-[(3S)-1-[(4-methylsulfanylphenyl)methyl]-3-piperidyl]-4-phenyl-piperazin-1-ium CAS Name: 1-[(3S)-1-[[4-(methylthio)phenyl]methyl]-3-piperidinyl]-4-phenylpiperazin-1-ium IUPAC Name: 1-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-4-phenylpiperazin-1-ium Traditional Name: 1-[(3S)-1-[4-(methylthio)benzyl]-3-piperidyl]-4-phenyl-piperazin-1-ium Formula: C23H32N3S+ MolecularWeight: 382.58528

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CN2CCCC(C2)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CSC1=CC=C(C=C1)CN2CCC[C@@H](C2)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H31N3S/c1-27-23-11-9-20(10-12-23)18-24-13-5-8-22(19-24)26-16-14-25(15-17-26)21-6-3-2-4-7-21/h2-4,6-7,9-12,22H,5,8,13-19H2,1H3/p+1/t22-/m0/s1