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

Systemtic Name: 4-chloranyl-3-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]carbonyl-N,N-dimethyl-benzenesulfonamide Openeye Name: 4-chloro-3-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-carbonyl]-N,N-dimethyl-benzenesulfonamide CAS Name: 4-chloro-3-[[4-[(4-cyanophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-N,N-dimethylbenzenesulfonamide IUPAC Name: 4-chloro-3-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-carbonyl]-N,N-dimethylbenzenesulfonamide Traditional Name: 4-chloro-3-[4-(4-cyanobenzyl)piperazin-4-ium-1-carbonyl]-N,N-dimethyl-benzenesulfonamide Formula: C21H24ClN4O3S+ MolecularWeight: 447.95826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4O3S/c1-24(2)30(28,29)18-7-8-20(22)19(13-18)21(27)26-11-9-25(10-12-26)15-17-5-3-16(14-23)4-6-17/h3-8,13H,9-12,15H2,1-2H3/p+1