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

Systemtic Name: (2S)-2-methyl-3-(1-methylpyridin-1-ium-4-yl)-5-(1-methylpyridin-4-ylidene)cyclopent-3-en-1-one Openeye Name: (2S)-2-methyl-3-(1-methylpyridin-1-ium-4-yl)-5-(1-methyl-4-pyridylidene)cyclopent-3-en-1-one CAS Name: (2S)-2-methyl-3-(1-methyl-4-pyridin-1-iumyl)-5-(1-methyl-4-pyridinylidene)-1-cyclopent-3-enone IUPAC Name: (2S)-2-methyl-3-(1-methylpyridin-1-ium-4-yl)-5-(1-methylpyridin-4-ylidene)cyclopent-3-en-1-one Traditional Name: (2S)-2-methyl-3-(1-methylpyridin-1-ium-4-yl)-5-(1-methyl-4-pyridylidene)cyclopent-3-en-1-one Formula: C18H19N2O+ MolecularWeight: 279.35626

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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

Isomeric SMILES

C[C@H]1C(=CC(=C2C=CN(C=C2)C)C1=O)C3=CC=[N+](C=C3)C

InChI

InChI=1S/C18H19N2O/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/q+1/t13-/m0/s1