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

Systemtic Name: 1-[2-(4-methylphenyl)sulfonylethyl]-4-(phenylmethyl)piperazine-1,4-diium Openeye Name: 1-benzyl-4-[2-(p-tolylsulfonyl)ethyl]piperazine-1,4-diium CAS Name: 1-[2-(4-methylphenyl)sulfonylethyl]-4-(phenylmethyl)piperazine-1,4-diium IUPAC Name: 1-benzyl-4-[2-(4-methylphenyl)sulfonylethyl]piperazine-1,4-diium Traditional Name: 1-benzyl-4-(2-tosylethyl)piperazine-1,4-diium Formula: C20H28N2O2S+2 MolecularWeight: 360.51352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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