1-(3-methylphenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-(3-methylphenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-(m-tolylsulfonyl)piperazin-1-ium CAS Name: 1-(3-methylphenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-(3-methylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-benzyl-4-(m-tolylsulfonyl)piperazin-1-ium Formula: C18H23N2O2S+ MolecularWeight: 331.45242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C18H22N2O2S/c1-16-6-5-9-18(14-16)23(21,22)20-12-10-19(11-13-20)15-17-7-3-2-4-8-17/h2-9,14H,10-13,15H2,1H3/p+1