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

Systemtic Name: [4,5-bis(oxidanylidene)-2-phenyl-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]-pyridin-4-yl-methanolate Openeye Name: [4,5-dioxo-2-phenyl-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]-(4-pyridyl)methanolate CAS Name: [4,5-dioxo-2-phenyl-1-(3-pyridin-1-iumylmethyl)-3-pyrrolidinylidene]-pyridin-4-ylmethanolate IUPAC Name: [4,5-dioxo-2-phenyl-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]-pyridin-4-ylmethanolate Traditional Name: [4,5-diketo-2-phenyl-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]-(4-pyridyl)methanolate Formula: C22H17N3O3 MolecularWeight: 371.38868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17N3O3/c26-20(17-8-11-23-12-9-17)18-19(16-6-2-1-3-7-16)25(22(28)21(18)27)14-15-5-4-10-24-13-15/h1-13,19,26H,14H2