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

Systemtic Name: 3-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]carbonyl-N,N-dimethyl-benzenesulfonamide Openeye Name: 3-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-carbonyl]-N,N-dimethyl-benzenesulfonamide CAS Name: 3-[[4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-N,N-dimethylbenzenesulfonamide IUPAC Name: 3-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-carbonyl]-N,N-dimethylbenzenesulfonamide Traditional Name: 3-[4-(3-chlorobenzyl)piperazin-4-ium-1-carbonyl]-N,N-dimethyl-benzenesulfonamide Formula: C20H25ClN3O3S+ MolecularWeight: 422.9488

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H24ClN3O3S/c1-22(2)28(26,27)19-8-4-6-17(14-19)20(25)24-11-9-23(10-12-24)15-16-5-3-7-18(21)13-16/h3-8,13-14H,9-12,15H2,1-2H3/p+1