1-[2-[2-(4-methylphenyl)sulfanylethoxy]ethyl]-4-(phenylmethyl)piperazin-1-ium

Systemtic Name: 1-[2-[2-(4-methylphenyl)sulfanylethoxy]ethyl]-4-(phenylmethyl)piperazin-1-ium Openeye Name: 1-benzyl-4-[2-[2-(p-tolylsulfanyl)ethoxy]ethyl]piperazin-4-ium CAS Name: 1-[2-[2-[(4-methylphenyl)thio]ethoxy]ethyl]-4-(phenylmethyl)piperazin-1-ium IUPAC Name: 1-benzyl-4-[2-[2-(4-methylphenyl)sulfanylethoxy]ethyl]piperazin-4-ium Traditional Name: 1-benzyl-4-[2-[2-(p-tolylthio)ethoxy]ethyl]piperazin-4-ium Formula: C22H31N2OS+ MolecularWeight: 371.55934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCOCC[NH+]2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)SCCOCC[NH+]2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H30N2OS/c1-20-7-9-22(10-8-20)26-18-17-25-16-15-23-11-13-24(14-12-23)19-21-5-3-2-4-6-21/h2-10H,11-19H2,1H3/p+1