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

Systemtic Name: [2-(4-tert-butylphenyl)-4,5-bis(oxidanylidene)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]-pyridin-4-yl-methanolate Openeye Name: [2-(4-tert-butylphenyl)-4,5-dioxo-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]-(4-pyridyl)methanolate CAS Name: [2-(4-tert-butylphenyl)-4,5-dioxo-1-(3-pyridin-1-iumylmethyl)-3-pyrrolidinylidene]-pyridin-4-ylmethanolate IUPAC Name: [2-(4-tert-butylphenyl)-4,5-dioxo-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]-pyridin-4-ylmethanolate Traditional Name: [2-(4-tert-butylphenyl)-4,5-diketo-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]-(4-pyridyl)methanolate Formula: C26H25N3O3 MolecularWeight: 427.495

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25N3O3/c1-26(2,3)20-8-6-18(7-9-20)22-21(23(30)19-10-13-27-14-11-19)24(31)25(32)29(22)16-17-5-4-12-28-15-17/h4-15,22,30H,16H2,1-3H3