N,N-dimethyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-benzenesulfonamide

Systemtic Name: N,N-dimethyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-benzenesulfonamide Openeye Name: N,N-dimethyl-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzenesulfonamide CAS Name: N,N-dimethyl-3-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: N,N-dimethyl-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzenesulfonamide Traditional Name: N,N-dimethyl-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzenesulfonamide Formula: C18H23N4O3S+ MolecularWeight: 375.46522

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C18H22N4O3S/c1-20(2)26(24,25)16-7-5-6-15(14-16)18(23)22-12-10-21(11-13-22)17-8-3-4-9-19-17/h3-9,14H,10-13H2,1-2H3/p+1