4-(4-bromophenyl)carbonyl-1-(2-morpholin-4-ium-4-ylethyl)-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-dione

Systemtic Name: 4-(4-bromophenyl)carbonyl-1-(2-morpholin-4-ium-4-ylethyl)-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-dione Openeye Name: 4-(4-bromobenzoyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-dione CAS Name: 4-[(4-bromophenyl)-oxomethyl]-1-[2-(4-morpholin-4-iumyl)ethyl]-5-(3-pyridin-1-iumyl)pyrrolidine-2,3-dione IUPAC Name: 4-(4-bromobenzoyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-pyridin-1-ium-3-ylpyrrolidine-2,3-dione Traditional Name: 4-(4-bromobenzoyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-quinone Formula: C22H24BrN3O4+2 MolecularWeight: 474.34766

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN2C(C(C(=O)C2=O)C(=O)C3=CC=C(C=C3)Br)C4=C[NH+]=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCN2C(C(C(=O)C2=O)C(=O)C3=CC=C(C=C3)Br)C4=C[NH+]=CC=C4

InChI

InChI=1S/C22H22BrN3O4/c23-17-5-3-15(4-6-17)20(27)18-19(16-2-1-7-24-14-16)26(22(29)21(18)28)9-8-25-10-12-30-13-11-25/h1-7,14,18-19H,8-13H2/p+2