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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(N1C=CC(=C[NH+]=O)C=C1)[N+]2=CC=C(C=C2)N.[Cl-].[Cl-]

Isomeric SMILES

COC(N1C=CC(=C[NH+]=O)C=C1)[N+]2=CC=C(C=C2)N.[Cl-].[Cl-]

InChI

InChI=1S/C13H14N4O2.2ClH/c1-19-13(17-8-4-12(14)5-9-17)16-6-2-11(3-7-16)10-15-18;;/h2-10,13-14H,1H3;2*1H