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

Systemtic Name: 5-[2-(1-methyl-8-oxidanyl-quinolin-4-ylidene)ethylidene]quinolin-1-ium-8-one iodide Openeye Name: 5-[2-(8-hydroxy-1-methyl-4-quinolylidene)ethylidene]quinolin-1-ium-8-one iodide CAS Name: 5-[2-(8-hydroxy-1-methyl-4-quinolinylidene)ethylidene]-8-quinolin-1-iumone iodide IUPAC Name: 5-[2-(8-hydroxy-1-methylquinolin-4-ylidene)ethylidene]quinolin-1-ium-8-one iodide Traditional Name: 5-[2-(8-hydroxy-1-methyl-4-quinolylidene)ethylidene]quinolin-1-ium-8-one iodide Formula: C21H17IN2O2 MolecularWeight: 456.27635

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=CC=C2C=CC(=O)C3=C2C=CC=[NH+]3)C4=C1C(=CC=C4)O.[I-]

Isomeric SMILES

CN1C=CC(=CC=C2C=CC(=O)C3=C2C=CC=[NH+]3)C4=C1C(=CC=C4)O.[I-]

InChI

InChI=1S/C21H16N2O2.HI/c1-23-13-11-15(17-4-2-6-19(25)21(17)23)8-7-14-9-10-18(24)20-16(14)5-3-12-22-20;/h2-13,25H,1H3;1H