4-methyl-N-(4-piperazin-4-ium-1-ylphenyl)benzenesulfonamide

Systemtic Name: 4-methyl-N-(4-piperazin-4-ium-1-ylphenyl)benzenesulfonamide Openeye Name: 4-methyl-N-(4-piperazin-4-ium-1-ylphenyl)benzenesulfonamide CAS Name: 4-methyl-N-[4-(1-piperazin-4-iumyl)phenyl]benzenesulfonamide IUPAC Name: 4-methyl-N-(4-piperazin-4-ium-1-ylphenyl)benzenesulfonamide Traditional Name: 4-methyl-N-(4-piperazin-4-ium-1-ylphenyl)benzenesulfonamide Formula: C17H22N3O2S+ MolecularWeight: 332.44048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)N3CC[NH2+]CC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)N3CC[NH2+]CC3

InChI

InChI=1S/C17H21N3O2S/c1-14-2-8-17(9-3-14)23(21,22)19-15-4-6-16(7-5-15)20-12-10-18-11-13-20/h2-9,18-19H,10-13H2,1H3/p+1