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

Systemtic Name: 1-[2-(4-methylphenyl)sulfonylethyl]-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-[2-(p-tolylsulfonyl)ethyl]piperazin-1-ium CAS Name: 1-[2-(4-methylphenyl)sulfonylethyl]-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-[2-(4-methylphenyl)sulfonylethyl]piperazin-1-ium Traditional Name: 1-benzyl-4-(2-tosylethyl)piperazin-1-ium Formula: C20H27N2O2S+ MolecularWeight: 359.50558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCN2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCN2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H26N2O2S/c1-18-7-9-20(10-8-18)25(23,24)16-15-21-11-13-22(14-12-21)17-19-5-3-2-4-6-19/h2-10H,11-17H2,1H3/p+1