methyl-[(4-methylphenyl)methyl]-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]azanium

Systemtic Name: methyl-[(4-methylphenyl)methyl]-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]azanium Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl]-methyl-(p-tolylmethyl)ammonium CAS Name: [2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]ammonium IUPAC Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium Traditional Name: [2-(4-besylpiperazino)-2-keto-ethyl]-methyl-(4-methylbenzyl)ammonium Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+](C)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+](C)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3S/c1-18-8-10-19(11-9-18)16-22(2)17-21(25)23-12-14-24(15-13-23)28(26,27)20-6-4-3-5-7-20/h3-11H,12-17H2,1-2H3/p+1