3-(1-methylpyridin-1-ium-4-yl)-5-(1-methylpyridin-4-ylidene)-2-phenyl-cyclopent-3-en-1-one iodide

Systemtic Name: 3-(1-methylpyridin-1-ium-4-yl)-5-(1-methylpyridin-4-ylidene)-2-phenyl-cyclopent-3-en-1-one iodide Openeye Name: 3-(1-methylpyridin-1-ium-4-yl)-5-(1-methyl-4-pyridylidene)-2-phenyl-cyclopent-3-en-1-one iodide CAS Name: 3-(1-methyl-4-pyridin-1-iumyl)-5-(1-methyl-4-pyridinylidene)-2-phenyl-1-cyclopent-3-enone iodide IUPAC Name: 3-(1-methylpyridin-1-ium-4-yl)-5-(1-methylpyridin-4-ylidene)-2-phenylcyclopent-3-en-1-one iodide Traditional Name: 3-(1-methylpyridin-1-ium-4-yl)-5-(1-methyl-4-pyridylidene)-2-phenyl-cyclopent-3-en-1-one iodide Formula: C23H21IN2O MolecularWeight: 468.33011

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=C2C=C(C(C2=O)C3=CC=CC=C3)C4=CC=[N+](C=C4)C)C=C1.[I-]

Isomeric SMILES

CN1C=CC(=C2C=C(C(C2=O)C3=CC=CC=C3)C4=CC=[N+](C=C4)C)C=C1.[I-]

InChI

InChI=1S/C23H21N2O.HI/c1-24-12-8-17(9-13-24)20-16-21(18-10-14-25(2)15-11-18)23(26)22(20)19-6-4-3-5-7-19;/h3-16,22H,1-2H3;1H/q+1;/p-1