1-[(3-methylphenyl)methyl]-4-(phenylsulfonyl)piperazin-1-ium

Systemtic Name: 1-[(3-methylphenyl)methyl]-4-(phenylsulfonyl)piperazin-1-ium Openeye Name: 1-(benzenesulfonyl)-4-(m-tolylmethyl)piperazin-4-ium CAS Name: 1-(benzenesulfonyl)-4-[(3-methylphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(benzenesulfonyl)-4-[(3-methylphenyl)methyl]piperazin-4-ium Traditional Name: 1-besyl-4-(3-methylbenzyl)piperazin-4-ium Formula: C18H23N2O2S+ MolecularWeight: 331.45242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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