N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-4-[(1-pyrrol-2-ylideneethylamino)carbamoyl]benzenesulfonamide

Systemtic Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-4-[(1-pyrrol-2-ylideneethylamino)carbamoyl]benzenesulfonamide Openeye Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-4-[(1-pyrrol-2-ylideneethylamino)carbamoyl]benzenesulfonamide CAS Name: N-methyl-N-(1-methyl-4-piperidin-1-iumyl)-4-[oxo-[1-(2-pyrrolylidene)ethylhydrazo]methyl]benzenesulfonamide IUPAC Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-4-[(1-pyrrol-2-ylideneethylamino)carbamoyl]benzenesulfonamide Traditional Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-4-[(1-pyrrol-2-ylideneethylamino)carbamoyl]benzenesulfonamide Formula: C20H28N5O3S+ MolecularWeight: 418.53302

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C=CC=N1)NNC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C3CC[NH+](CC3)C

Isomeric SMILES

CC(=C1C=CC=N1)NNC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C3CC[NH+](CC3)C

InChI

InChI=1S/C20H27N5O3S/c1-15(19-5-4-12-21-19)22-23-20(26)16-6-8-18(9-7-16)29(27,28)25(3)17-10-13-24(2)14-11-17/h4-9,12,17,22H,10-11,13-14H2,1-3H3,(H,23,26)/p+1