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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=C[NH+]=CC=C3)C4=CC=NC=C4)[O-]

Isomeric SMILES

C1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CC3=C[NH+]=CC=C3)C4=CC=NC=C4)/[O-]

InChI

InChI=1S/C22H17N3O3/c26-20(17-6-2-1-3-7-17)18-19(16-8-11-23-12-9-16)25(22(28)21(18)27)14-15-5-4-10-24-13-15/h1-13,19,26H,14H2/b20-18+