(1-chloranyl-4-oxidanyl-4-oxidanylidene-butyl)-dimethyl-(pyridin-3-ylcarbonylcarbamoyl)azanium

Systemtic Name: (1-chloranyl-4-oxidanyl-4-oxidanylidene-butyl)-dimethyl-(pyridin-3-ylcarbonylcarbamoyl)azanium Openeye Name: (1-chloro-4-hydroxy-4-oxo-butyl)-dimethyl-(pyridine-3-carbonylcarbamoyl)ammonium CAS Name: (1-chloro-4-hydroxy-4-oxobutyl)-dimethyl-[oxo-[[oxo(3-pyridinyl)methyl]amino]methyl]ammonium IUPAC Name: (1-chloro-4-hydroxy-4-oxobutyl)-dimethyl-(pyridine-3-carbonylcarbamoyl)azanium Traditional Name: (1-chloro-4-hydroxy-4-keto-butyl)-dimethyl-(nicotinoylcarbamoyl)ammonium Formula: C13H17ClN3O4+ MolecularWeight: 314.74478

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C(CCC(=O)O)Cl)C(=O)NC(=O)C1=CN=CC=C1

Isomeric SMILES

C[N+](C)(C(CCC(=O)O)Cl)C(=O)NC(=O)C1=CN=CC=C1

InChI

InChI=1S/C13H16ClN3O4/c1-17(2,10(14)5-6-11(18)19)13(21)16-12(20)9-4-3-7-15-8-9/h3-4,7-8,10H,5-6H2,1-2H3,(H-,16,18,19,20,21)/p+1