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

Systemtic Name: [4,5-bis(oxidanylidene)-2-(4-propan-2-ylphenyl)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]-pyridin-4-yl-methanolate Openeye Name: [2-(4-isopropylphenyl)-4,5-dioxo-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]-(4-pyridyl)methanolate CAS Name: [4,5-dioxo-2-(4-propan-2-ylphenyl)-1-(3-pyridin-1-iumylmethyl)-3-pyrrolidinylidene]-pyridin-4-ylmethanolate IUPAC Name: [4,5-dioxo-2-(4-propan-2-ylphenyl)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]-pyridin-4-ylmethanolate Traditional Name: [4,5-diketo-2-p-cumenyl-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]-(4-pyridyl)methanolate Formula: C25H23N3O3 MolecularWeight: 413.46842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H23N3O3/c1-16(2)18-5-7-19(8-6-18)22-21(23(29)20-9-12-26-13-10-20)24(30)25(31)28(22)15-17-4-3-11-27-14-17/h3-14,16,22,29H,15H2,1-2H3