3-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-N,N-dimethyl-benzenesulfonamide

Systemtic Name: 3-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-N,N-dimethyl-benzenesulfonamide Openeye Name: 3-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-N,N-dimethyl-benzenesulfonamide CAS Name: 3-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-N,N-dimethylbenzenesulfonamide IUPAC Name: 3-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-N,N-dimethylbenzenesulfonamide Traditional Name: 3-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-N,N-dimethyl-benzenesulfonamide Formula: C19H25ClN3O2S+ MolecularWeight: 394.9387

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24ClN3O2S/c1-21(2)26(24,25)19-8-3-5-16(13-19)15-22-9-11-23(12-10-22)18-7-4-6-17(20)14-18/h3-8,13-14H,9-12,15H2,1-2H3/p+1