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

Systemtic Name: (4-chlorophenyl)methyl-methyl-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]azanium Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl]-[(4-chlorophenyl)methyl]-methyl-ammonium CAS Name: [2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl]-[(4-chlorophenyl)methyl]-methylammonium IUPAC Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-[(4-chlorophenyl)methyl]-methylazanium Traditional Name: [2-(4-besylpiperazino)-2-keto-ethyl]-(4-chlorobenzyl)-methyl-ammonium Formula: C20H25ClN3O3S+ MolecularWeight: 422.9488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN3O3S/c1-22(15-17-7-9-18(21)10-8-17)16-20(25)23-11-13-24(14-12-23)28(26,27)19-5-3-2-4-6-19/h2-10H,11-16H2,1H3/p+1