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

Systemtic Name: [2-(4-bromophenyl)-4,5-bis(oxidanylidene)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]-pyridin-4-yl-methanolate Openeye Name: [2-(4-bromophenyl)-4,5-dioxo-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]-(4-pyridyl)methanolate CAS Name: [2-(4-bromophenyl)-4,5-dioxo-1-(3-pyridin-1-iumylmethyl)-3-pyrrolidinylidene]-pyridin-4-ylmethanolate IUPAC Name: [2-(4-bromophenyl)-4,5-dioxo-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]-pyridin-4-ylmethanolate Traditional Name: [2-(4-bromophenyl)-4,5-diketo-1-(pyridin-1-ium-3-ylmethyl)pyrrolidin-3-ylidene]-(4-pyridyl)methanolate Formula: C22H16BrN3O3 MolecularWeight: 450.28474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[NH+]=C1)CN2C(C(=C(C3=CC=NC=C3)[O-])C(=O)C2=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC(=C[NH+]=C1)CN2C(C(=C(C3=CC=NC=C3)[O-])C(=O)C2=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H16BrN3O3/c23-17-5-3-15(4-6-17)19-18(20(27)16-7-10-24-11-8-16)21(28)22(29)26(19)13-14-2-1-9-25-12-14/h1-12,19,27H,13H2