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

Systemtic Name: [1-[(3-azanylpyridin-1-ium-1-yl)methoxymethyl]pyridin-4-ylidene]methyl-oxidanylidene-azanium dichloride Openeye Name: [1-[(3-aminopyridin-1-ium-1-yl)methoxymethyl]-4-pyridylidene]methyl-oxo-ammonium dichloride CAS Name: [1-[(3-amino-1-pyridin-1-iumyl)methoxymethyl]-4-pyridinylidene]methyl-oxoammonium dichloride IUPAC Name: [1-[(3-aminopyridin-1-ium-1-yl)methoxymethyl]pyridin-4-ylidene]methyl-oxoazanium dichloride Traditional Name: [1-[(3-aminopyridin-1-ium-1-yl)methoxymethyl]-4-pyridylidene]methyl-keto-ammonium dichloride Formula: C13H16Cl2N4O2 MolecularWeight: 331.19774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N4O2.2ClH/c14-13-2-1-5-17(9-13)11-19-10-16-6-3-12(4-7-16)8-15-18;;/h1-9H,10-11,14H2;2*1H/q+1;;/p-1