ethyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-(1-methylpyridin-1-ium-4-yl)-3-oxidanylidene-propanoate iodide

Systemtic Name: ethyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-(1-methylpyridin-1-ium-4-yl)-3-oxidanylidene-propanoate iodide Openeye Name: ethyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-(1-methylpyridin-1-ium-4-yl)-3-oxo-propanoate iodide CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-(1-methyl-4-pyridin-1-iumyl)-3-oxopropanoic acid ethyl ester iodide IUPAC Name: ethyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-(1-methylpyridin-1-ium-4-yl)-3-oxopropanoate iodide Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-3-(1-methylpyridin-1-ium-4-yl)propionic acid ethyl ester iodide Formula: C18H18IN3O3 MolecularWeight: 451.25829

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1NC2=CC=CC=C2N1)C(=O)C3=CC=[N+](C=C3)C.[I-]

Isomeric SMILES

CCOC(=O)C(=C1NC2=CC=CC=C2N1)C(=O)C3=CC=[N+](C=C3)C.[I-]

InChI

InChI=1S/C18H17N3O3.HI/c1-3-24-18(23)15(16(22)12-8-10-21(2)11-9-12)17-19-13-6-4-5-7-14(13)20-17;/h4-11,22H,3H2,1-2H3;1H