[1-[(3-aminocarbonylpyridin-1-ium-1-yl)methoxymethyl]pyridin-4-ylidene]methyl-oxidanylidene-azanium dichloride

Systemtic Name: [1-[(3-aminocarbonylpyridin-1-ium-1-yl)methoxymethyl]pyridin-4-ylidene]methyl-oxidanylidene-azanium dichloride Openeye Name: [1-[(3-carbamoylpyridin-1-ium-1-yl)methoxymethyl]-4-pyridylidene]methyl-oxo-ammonium dichloride CAS Name: [1-[(3-carbamoyl-1-pyridin-1-iumyl)methoxymethyl]-4-pyridinylidene]methyl-oxoammonium dichloride IUPAC Name: [1-[(3-carbamoylpyridin-1-ium-1-yl)methoxymethyl]pyridin-4-ylidene]methyl-oxoazanium dichloride Traditional Name: [1-[(3-carbamoylpyridin-1-ium-1-yl)methoxymethyl]-4-pyridylidene]methyl-keto-ammonium dichloride Formula: C14H16Cl2N4O3 MolecularWeight: 359.20784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)COCN2C=CC(=C[NH+]=O)C=C2)C(=O)N.[Cl-].[Cl-]

Isomeric SMILES

C1=CC(=C[N+](=C1)COCN2C=CC(=C[NH+]=O)C=C2)C(=O)N.[Cl-].[Cl-]

InChI

InChI=1S/C14H14N4O3.2ClH/c15-14(19)13-2-1-5-18(9-13)11-21-10-17-6-3-12(4-7-17)8-16-20;;/h1-9H,10-11H2,(H-,15,19);2*1H