2,5-dimethyl-N-(4-piperazin-4-ium-1-ylphenyl)benzenesulfonamide

Systemtic Name: 2,5-dimethyl-N-(4-piperazin-4-ium-1-ylphenyl)benzenesulfonamide Openeye Name: 2,5-dimethyl-N-(4-piperazin-4-ium-1-ylphenyl)benzenesulfonamide CAS Name: 2,5-dimethyl-N-[4-(1-piperazin-4-iumyl)phenyl]benzenesulfonamide IUPAC Name: 2,5-dimethyl-N-(4-piperazin-4-ium-1-ylphenyl)benzenesulfonamide Traditional Name: 2,5-dimethyl-N-(4-piperazin-4-ium-1-ylphenyl)benzenesulfonamide Formula: C18H24N3O2S+ MolecularWeight: 346.46706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O2S/c1-14-3-4-15(2)18(13-14)24(22,23)20-16-5-7-17(8-6-16)21-11-9-19-10-12-21/h3-8,13,19-20H,9-12H2,1-2H3/p+1