[2-(4-methylphenyl)-4,5-bis(oxidanylidene)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]-pyridin-4-yl-methanolate

Systemtic Name: [2-(4-methylphenyl)-4,5-bis(oxidanylidene)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]-pyridin-4-yl-methanolate Openeye Name: [4,5-dioxo-2-(p-tolyl)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]-(4-pyridyl)methanolate CAS Name: [2-(4-methylphenyl)-4,5-dioxo-1-(3-pyridin-1-iumylmethyl)-3-pyrrolidinylidene]-pyridin-4-ylmethanolate IUPAC Name: [2-(4-methylphenyl)-4,5-dioxo-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]-pyridin-4-ylmethanolate Traditional Name: [4,5-diketo-2-(p-tolyl)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]-(4-pyridyl)methanolate Formula: C23H19N3O3 MolecularWeight: 385.41526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(=C(C3=CC=NC=C3)[O-])C(=O)C(=O)N2CC4=C[NH+]=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2C(=C(C3=CC=NC=C3)[O-])C(=O)C(=O)N2CC4=C[NH+]=CC=C4

InChI

InChI=1S/C23H19N3O3/c1-15-4-6-17(7-5-15)20-19(21(27)18-8-11-24-12-9-18)22(28)23(29)26(20)14-16-3-2-10-25-13-16/h2-13,20,27H,14H2,1H3