1-[2-[2-(4-methylphenyl)sulfanylethoxy]ethyl]-4-(phenylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[2-[2-(4-methylphenyl)sulfanylethoxy]ethyl]-4-(phenylmethyl)piperazine-1,4-diium Openeye Name: 1-benzyl-4-[2-[2-(p-tolylsulfanyl)ethoxy]ethyl]piperazine-1,4-diium CAS Name: 1-[2-[2-[(4-methylphenyl)thio]ethoxy]ethyl]-4-(phenylmethyl)piperazine-1,4-diium IUPAC Name: 1-benzyl-4-[2-[2-(4-methylphenyl)sulfanylethoxy]ethyl]piperazine-1,4-diium Traditional Name: 1-benzyl-4-[2-[2-(p-tolylthio)ethoxy]ethyl]piperazine-1,4-diium Formula: C22H32N2OS+2 MolecularWeight: 372.56728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)SCCOCC[NH+]2CC[NH+](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+2