3-(2-methyl-3-oxidanyl-4-oxidanylidene-1H-pyridin-1-ium-1-yl)propylazanium dichloride

Systemtic Name: 3-(2-methyl-3-oxidanyl-4-oxidanylidene-1H-pyridin-1-ium-1-yl)propylazanium dichloride Openeye Name: 3-(3-hydroxy-2-methyl-4-oxo-1H-pyridin-1-ium-1-yl)propylammonium dichloride CAS Name: 3-(3-hydroxy-2-methyl-4-oxo-1H-pyridin-1-ium-1-yl)propylammonium dichloride IUPAC Name: 3-(3-hydroxy-2-methyl-4-oxo-1H-pyridin-1-ium-1-yl)propylazanium dichloride Traditional Name: 3-(3-hydroxy-4-keto-2-methyl-1H-pyridin-1-ium-1-yl)propylammonium dichloride Formula: C9H16Cl2N2O2 MolecularWeight: 255.14154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C=C[NH+]1CCC[NH3+])O.[Cl-].[Cl-]

Isomeric SMILES

CC1=C(C(=O)C=C[NH+]1CCC[NH3+])O.[Cl-].[Cl-]

InChI

InChI=1S/C9H14N2O2.2ClH/c1-7-9(13)8(12)3-6-11(7)5-2-4-10;;/h3,6,13H,2,4-5,10H2,1H3;2*1H