methyl (E)-N-pyridin-1-ium-1-ylbenzenecarboximidate chloride

Systemtic Name: methyl (E)-N-pyridin-1-ium-1-ylbenzenecarboximidate chloride Openeye Name: methyl (E)-N-pyridin-1-ium-1-ylbenzenecarboximidate chloride CAS Name: (E)-N-(1-pyridin-1-iumyl)benzenecarboximidic acid methyl ester chloride IUPAC Name: methyl (E)-N-pyridin-1-ium-1-ylbenzenecarboximidate chloride Traditional Name: (E)-N-pyridin-1-ium-1-ylbenzenecarboximidic acid methyl ester chloride Formula: C13H13ClN2O MolecularWeight: 248.70812

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Descriptors Computed from Structure

Canonical SMILES:

COC(=N[N+]1=CC=CC=C1)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

CO/C(=N/[N+]1=CC=CC=C1)/C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C13H13N2O.ClH/c1-16-13(12-8-4-2-5-9-12)14-15-10-6-3-7-11-15;/h2-11H,1H3;1H/q+1;/p-1/b14-13+;