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

Systemtic Name: 2-methyl-3-(1-methylpyridin-1-ium-4-yl)-5-(1-methylpyridin-4-ylidene)cyclopent-3-en-1-one iodide Openeye Name: 2-methyl-3-(1-methylpyridin-1-ium-4-yl)-5-(1-methyl-4-pyridylidene)cyclopent-3-en-1-one iodide CAS Name: 2-methyl-3-(1-methyl-4-pyridin-1-iumyl)-5-(1-methyl-4-pyridinylidene)-1-cyclopent-3-enone iodide IUPAC Name: 2-methyl-3-(1-methylpyridin-1-ium-4-yl)-5-(1-methylpyridin-4-ylidene)cyclopent-3-en-1-one iodide Traditional Name: 2-methyl-3-(1-methylpyridin-1-ium-4-yl)-5-(1-methyl-4-pyridylidene)cyclopent-3-en-1-one iodide Formula: C18H19IN2O MolecularWeight: 406.26073

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=CC(=C2C=CN(C=C2)C)C1=O)C3=CC=[N+](C=C3)C.[I-]

Isomeric SMILES

CC1C(=CC(=C2C=CN(C=C2)C)C1=O)C3=CC=[N+](C=C3)C.[I-]

InChI

InChI=1S/C18H19N2O.HI/c1-13-16(14-4-8-19(2)9-5-14)12-17(18(13)21)15-6-10-20(3)11-7-15;/h4-13H,1-3H3;1H/q+1;/p-1