2-[2-(3-bromophenyl)-4,5-bis(oxidanylidene)-3-pyridin-4-ylcarbonyl-pyrrolidin-1-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[2-(3-bromophenyl)-4,5-bis(oxidanylidene)-3-pyridin-4-ylcarbonyl-pyrrolidin-1-yl]ethyl-diethyl-azanium Openeye Name: 2-[2-(3-bromophenyl)-4,5-dioxo-3-(pyridine-4-carbonyl)pyrrolidin-1-yl]ethyl-diethyl-ammonium CAS Name: 2-[2-(3-bromophenyl)-4,5-dioxo-3-[oxo(pyridin-4-yl)methyl]-1-pyrrolidinyl]ethyl-diethylammonium IUPAC Name: 2-[2-(3-bromophenyl)-4,5-dioxo-3-(pyridine-4-carbonyl)pyrrolidin-1-yl]ethyl-diethylazanium Traditional Name: 2-[2-(3-bromophenyl)-3-isonicotinoyl-4,5-diketo-pyrrolidino]ethyl-diethyl-ammonium Formula: C22H25BrN3O3+ MolecularWeight: 459.3562

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(C(C(=O)C1=O)C(=O)C2=CC=NC=C2)C3=CC(=CC=C3)Br

Isomeric SMILES

CC[NH+](CC)CCN1C(C(C(=O)C1=O)C(=O)C2=CC=NC=C2)C3=CC(=CC=C3)Br

InChI

InChI=1S/C22H24BrN3O3/c1-3-25(4-2)12-13-26-19(16-6-5-7-17(23)14-16)18(21(28)22(26)29)20(27)15-8-10-24-11-9-15/h5-11,14,18-19H,3-4,12-13H2,1-2H3/p+1