5-[2-(1-methylquinolin-4-ylidene)ethylidene]quinolin-1-ium-8-one iodide

Systemtic Name: 5-[2-(1-methylquinolin-4-ylidene)ethylidene]quinolin-1-ium-8-one iodide Openeye Name: 5-[2-(1-methyl-4-quinolylidene)ethylidene]quinolin-1-ium-8-one iodide CAS Name: 5-[2-(1-methyl-4-quinolinylidene)ethylidene]-8-quinolin-1-iumone iodide IUPAC Name: 5-[2-(1-methylquinolin-4-ylidene)ethylidene]quinolin-1-ium-8-one iodide Traditional Name: 5-[2-(1-methyl-4-quinolylidene)ethylidene]quinolin-1-ium-8-one iodide Formula: C21H17IN2O MolecularWeight: 440.27695

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=CC=C2C=CC(=O)C3=C2C=CC=[NH+]3)C4=CC=CC=C41.[I-]

Isomeric SMILES

CN1C=CC(=CC=C2C=CC(=O)C3=C2C=CC=[NH+]3)C4=CC=CC=C41.[I-]

InChI

InChI=1S/C21H16N2O.HI/c1-23-14-12-16(17-5-2-3-7-19(17)23)9-8-15-10-11-20(24)21-18(15)6-4-13-22-21;/h2-14H,1H3;1H