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

Systemtic Name: (2S)-3-(1-methylpyridin-1-ium-4-yl)-5-(1-methylpyridin-4-ylidene)-2-phenyl-cyclopent-3-en-1-one Openeye Name: (2S)-3-(1-methylpyridin-1-ium-4-yl)-5-(1-methyl-4-pyridylidene)-2-phenyl-cyclopent-3-en-1-one CAS Name: (2S)-3-(1-methyl-4-pyridin-1-iumyl)-5-(1-methyl-4-pyridinylidene)-2-phenyl-1-cyclopent-3-enone IUPAC Name: (2S)-3-(1-methylpyridin-1-ium-4-yl)-5-(1-methylpyridin-4-ylidene)-2-phenylcyclopent-3-en-1-one Traditional Name: (2S)-3-(1-methylpyridin-1-ium-4-yl)-5-(1-methyl-4-pyridylidene)-2-phenyl-cyclopent-3-en-1-one Formula: C23H21N2O+ MolecularWeight: 341.42564

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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

Isomeric SMILES

CN1C=CC(=C2C=C([C@@H](C2=O)C3=CC=CC=C3)C4=CC=[N+](C=C4)C)C=C1

InChI

InChI=1S/C23H21N2O/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/q+1/t22-/m0/s1