[(E)-[1-[(4-aminocarbonylpyridin-1-ium-1-yl)methoxymethyl]pyridin-2-ylidene]methyl]-oxidanylidene-azanium; methanesulfonate

Systemtic Name: [(E)-[1-[(4-aminocarbonylpyridin-1-ium-1-yl)methoxymethyl]pyridin-2-ylidene]methyl]-oxidanylidene-azanium; methanesulfonate Openeye Name: [(E)-[1-[(4-carbamoylpyridin-1-ium-1-yl)methoxymethyl]-2-pyridylidene]methyl]-oxo-ammonium; methanesulfonate CAS Name: [(E)-[1-[(4-carbamoyl-1-pyridin-1-iumyl)methoxymethyl]-2-pyridinylidene]methyl]-oxoammonium; methanesulfonate IUPAC Name: [(E)-[1-[(4-carbamoylpyridin-1-ium-1-yl)methoxymethyl]pyridin-2-ylidene]methyl]-oxoazanium; methanesulfonate Traditional Name: [(E)-[1-[(4-carbamoylpyridin-1-ium-1-yl)methoxymethyl]-2-pyridylidene]methyl]-keto-ammonium dimesylate Formula: C16H22N4O9S2 MolecularWeight: 478.49728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CS(=O)(=O)[O-].CS(=O)(=O)[O-].C1=C/C(=C\[NH+]=O)/N(C=C1)COC[N+]2=CC=C(C=C2)C(=O)N

InChI

InChI=1S/C14H14N4O3.2CH4O3S/c15-14(19)12-4-7-17(8-5-12)10-21-11-18-6-2-1-3-13(18)9-16-20;2*1-5(2,3)4/h1-9H,10-11H2,(H-,15,19);2*1H3,(H,2,3,4)/b13-9+;;