1-methyl-2-oxidanylidene-3-phenyl-5-pyridin-1-ium-1-yl-imidazole-4-carbaldehyde iodide

Systemtic Name: 1-methyl-2-oxidanylidene-3-phenyl-5-pyridin-1-ium-1-yl-imidazole-4-carbaldehyde iodide Openeye Name: 1-methyl-2-oxo-3-phenyl-5-pyridin-1-ium-1-yl-imidazole-4-carbaldehyde iodide CAS Name: 1-methyl-2-oxo-3-phenyl-5-(1-pyridin-1-iumyl)-4-imidazolecarboxaldehyde iodide IUPAC Name: 1-methyl-2-oxo-3-phenyl-5-pyridin-1-ium-1-ylimidazole-4-carbaldehyde iodide Traditional Name: 2-keto-1-methyl-3-phenyl-5-pyridin-1-ium-1-yl-4-imidazoline-4-carbaldehyde iodide Formula: C16H14IN3O2 MolecularWeight: 407.20573

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(N(C1=O)C2=CC=CC=C2)C=O)[N+]3=CC=CC=C3.[I-]

Isomeric SMILES

CN1C(=C(N(C1=O)C2=CC=CC=C2)C=O)[N+]3=CC=CC=C3.[I-]

InChI

InChI=1S/C16H14N3O2.HI/c1-17-15(18-10-6-3-7-11-18)14(12-20)19(16(17)21)13-8-4-2-5-9-13;/h2-12H,1H3;1H/q+1;/p-1