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

Systemtic Name: [2-(3-bromophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-pyridin-4-yl-methanolate Openeye Name: [2-(3-bromophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxo-pyrrolidin-3-ylidene]-(4-pyridyl)methanolate CAS Name: [2-(3-bromophenyl)-1-[3-(4-morpholin-4-iumyl)propyl]-4,5-dioxo-3-pyrrolidinylidene]-pyridin-4-ylmethanolate IUPAC Name: [2-(3-bromophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]-pyridin-4-ylmethanolate Traditional Name: [2-(3-bromophenyl)-4,5-diketo-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolidin-3-ylidene]-(4-pyridyl)methanolate Formula: C23H24BrN3O4 MolecularWeight: 486.35836

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN2C(C(=C(C3=CC=NC=C3)[O-])C(=O)C2=O)C4=CC(=CC=C4)Br

Isomeric SMILES

C1COCC[NH+]1CCCN2C(C(=C(C3=CC=NC=C3)[O-])C(=O)C2=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C23H24BrN3O4/c24-18-4-1-3-17(15-18)20-19(21(28)16-5-7-25-8-6-16)22(29)23(30)27(20)10-2-9-26-11-13-31-14-12-26/h1,3-8,15,20,28H,2,9-14H2