1-[(4-methylphenyl)methylsulfonyl]-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-[(4-methylphenyl)methylsulfonyl]-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-(p-tolylmethylsulfonyl)piperazin-1-ium CAS Name: 1-[(4-methylphenyl)methylsulfonyl]-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-[(4-methylphenyl)methylsulfonyl]piperazin-1-ium Traditional Name: 1-benzyl-4-(4-methylbenzyl)sulfonyl-piperazin-1-ium Formula: C19H25N2O2S+ MolecularWeight: 345.479

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O2S/c1-17-7-9-19(10-8-17)16-24(22,23)21-13-11-20(12-14-21)15-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3/p+1