1-(1-methylpyridin-1-ium-3-yl)-3-phenylimino-butan-1-one iodide

Systemtic Name: 1-(1-methylpyridin-1-ium-3-yl)-3-phenylimino-butan-1-one iodide Openeye Name: 1-(1-methylpyridin-1-ium-3-yl)-3-phenylimino-butan-1-one iodide CAS Name: 1-(1-methyl-3-pyridin-1-iumyl)-3-phenylimino-1-butanone iodide IUPAC Name: 1-(1-methylpyridin-1-ium-3-yl)-3-phenyliminobutan-1-one iodide Traditional Name: 1-(1-methylpyridin-1-ium-3-yl)-3-phenylimino-butan-1-one iodide Formula: C16H17IN2O MolecularWeight: 380.22345

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NC1=CC=CC=C1)CC(=O)C2=C[N+](=CC=C2)C.[I-]

Isomeric SMILES

CC(=NC1=CC=CC=C1)CC(=O)C2=C[N+](=CC=C2)C.[I-]

InChI

InChI=1S/C16H17N2O.HI/c1-13(17-15-8-4-3-5-9-15)11-16(19)14-7-6-10-18(2)12-14;/h3-10,12H,11H2,1-2H3;1H/q+1;/p-1