1-[[2-(3-methylphenyl)sulfanylphenyl]methyl]-4-phenyl-piperazin-1-ium

Systemtic Name: 1-[[2-(3-methylphenyl)sulfanylphenyl]methyl]-4-phenyl-piperazin-1-ium Openeye Name: 1-[[2-(m-tolylsulfanyl)phenyl]methyl]-4-phenyl-piperazin-1-ium CAS Name: 1-[[2-[(3-methylphenyl)thio]phenyl]methyl]-4-phenylpiperazin-1-ium IUPAC Name: 1-[[2-(3-methylphenyl)sulfanylphenyl]methyl]-4-phenylpiperazin-1-ium Traditional Name: 1-[2-(m-tolylthio)benzyl]-4-phenyl-piperazin-1-ium Formula: C24H27N2S+ MolecularWeight: 375.54958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)SC2=CC=CC=C2C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)SC2=CC=CC=C2C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H26N2S/c1-20-8-7-12-23(18-20)27-24-13-6-5-9-21(24)19-25-14-16-26(17-15-25)22-10-3-2-4-11-22/h2-13,18H,14-17,19H2,1H3/p+1