(4S)-6-bromanyl-3-(4-chlorophenyl)-4-oxidanyl-2-oxidanylidene-N-(3-pyrrolidin-1-ium-1-ylpropyl)-1H-quinazoline-4-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCCNC(=O)C2(C3=C(C=CC(=C3)Br)NC(=O)N2C4=CC=C(C=C4)Cl)O

Isomeric SMILES

C1CC[NH+](C1)CCCNC(=O)[C@]2(C3=C(C=CC(=C3)Br)NC(=O)N2C4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C22H24BrClN4O3/c23-15-4-9-19-18(14-15)22(31,20(29)25-10-3-13-27-11-1-2-12-27)28(21(30)26-19)17-7-5-16(24)6-8-17/h4-9,14,31H,1-3,10-13H2,(H,25,29)(H,26,30)/p+1/t22-/m0/s1