1-[(4-methylphenyl)methyl]-4-(phenylmethyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(4-methylphenyl)methyl]-4-(phenylmethyl)sulfonyl-piperazin-1-ium Openeye Name: 1-benzylsulfonyl-4-(p-tolylmethyl)piperazin-4-ium CAS Name: 1-[(4-methylphenyl)methyl]-4-(phenylmethyl)sulfonylpiperazin-1-ium IUPAC Name: 1-benzylsulfonyl-4-[(4-methylphenyl)methyl]piperazin-4-ium Traditional Name: 1-benzylsulfonyl-4-(4-methylbenzyl)piperazin-4-ium Formula: C19H25N2O2S+ MolecularWeight: 345.479

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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