6-bromanyl-3-(4-chlorophenyl)-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-4-oxidanyl-2-oxidanylidene-1H-quinazoline-4-carboxamide

Systemtic Name: 6-bromanyl-3-(4-chlorophenyl)-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-4-oxidanyl-2-oxidanylidene-1H-quinazoline-4-carboxamide Openeye Name: 6-bromo-3-(4-chlorophenyl)-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide CAS Name: 6-bromo-3-(4-chlorophenyl)-N-[(1-ethyl-2-pyrrolidin-1-iumyl)methyl]-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide IUPAC Name: 6-bromo-3-(4-chlorophenyl)-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide Traditional Name: 6-bromo-3-(4-chlorophenyl)-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-4-hydroxy-2-keto-1H-quinazoline-4-carboxamide Formula: C22H25BrClN4O3+ MolecularWeight: 508.8159

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)C2(C3=C(C=CC(=C3)Br)NC(=O)N2C4=CC=C(C=C4)Cl)O

Isomeric SMILES

CC[NH+]1CCCC1CNC(=O)C2(C3=C(C=CC(=C3)Br)NC(=O)N2C4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C22H24BrClN4O3/c1-2-27-11-3-4-17(27)13-25-20(29)22(31)18-12-14(23)5-10-19(18)26-21(30)28(22)16-8-6-15(24)7-9-16/h5-10,12,17,31H,2-4,11,13H2,1H3,(H,25,29)(H,26,30)/p+1