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

Systemtic Name: (E)-(4-chlorophenyl)-[2-(4-dimethylaminophenyl)-4,5-bis(oxidanylidene)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate Openeye Name: (E)-(4-chlorophenyl)-[2-(4-dimethylaminophenyl)-4,5-dioxo-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate CAS Name: (E)-(4-chlorophenyl)-[2-(4-dimethylaminophenyl)-4,5-dioxo-1-(3-pyridin-1-iumylmethyl)-3-pyrrolidinylidene]methanolate IUPAC Name: (E)-(4-chlorophenyl)-[2-(4-dimethylaminophenyl)-4,5-dioxo-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate Traditional Name: (E)-(4-chlorophenyl)-[2-(4-dimethylaminophenyl)-4,5-diketo-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate Formula: C25H22ClN3O3 MolecularWeight: 447.91348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22ClN3O3/c1-28(2)20-11-7-17(8-12-20)22-21(23(30)18-5-9-19(26)10-6-18)24(31)25(32)29(22)15-16-4-3-13-27-14-16/h3-14,22,30H,15H2,1-2H3/b23-21+