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

Systemtic Name: N-[[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]methyl]-N,4-dimethyl-benzenesulfonamide Openeye Name: N-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-N,4-dimethyl-benzenesulfonamide CAS Name: N-[[4-(4-acetylphenyl)-1-piperazin-1-iumyl]methyl]-N,4-dimethylbenzenesulfonamide IUPAC Name: N-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-N,4-dimethylbenzenesulfonamide Traditional Name: N-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-N,4-dimethyl-benzenesulfonamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C21H27N3O3S/c1-17-4-10-21(11-5-17)28(26,27)22(3)16-23-12-14-24(15-13-23)20-8-6-19(7-9-20)18(2)25/h4-11H,12-16H2,1-3H3/p+1