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

Systemtic Name: (E)-[4,5-bis(oxidanylidene)-2-(4-propan-2-ylphenyl)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]-phenyl-methanolate Openeye Name: (E)-[2-(4-isopropylphenyl)-4,5-dioxo-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]-phenyl-methanolate CAS Name: (E)-[4,5-dioxo-2-(4-propan-2-ylphenyl)-1-(3-pyridin-1-iumylmethyl)-3-pyrrolidinylidene]-phenylmethanolate IUPAC Name: (E)-[4,5-dioxo-2-(4-propan-2-ylphenyl)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]-phenylmethanolate Traditional Name: (E)-[4,5-diketo-2-p-cumenyl-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]-phenyl-methanolate Formula: C26H24N2O3 MolecularWeight: 412.48036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2/C(=C(/C3=CC=CC=C3)\[O-])/C(=O)C(=O)N2CC4=C[NH+]=CC=C4

InChI

InChI=1S/C26H24N2O3/c1-17(2)19-10-12-20(13-11-19)23-22(24(29)21-8-4-3-5-9-21)25(30)26(31)28(23)16-18-7-6-14-27-15-18/h3-15,17,23,29H,16H2,1-2H3/b24-22+