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

Systemtic Name: 6-bromanyl-3-(4-ethylphenyl)-4-oxidanyl-2-oxidanylidene-N-(3-pyrrolidin-1-ium-1-ylpropyl)-1H-quinazoline-4-carboxamide Openeye Name: 6-bromo-3-(4-ethylphenyl)-4-hydroxy-2-oxo-N-(3-pyrrolidin-1-ium-1-ylpropyl)-1H-quinazoline-4-carboxamide CAS Name: 6-bromo-3-(4-ethylphenyl)-4-hydroxy-2-oxo-N-[3-(1-pyrrolidin-1-iumyl)propyl]-1H-quinazoline-4-carboxamide IUPAC Name: 6-bromo-3-(4-ethylphenyl)-4-hydroxy-2-oxo-N-(3-pyrrolidin-1-ium-1-ylpropyl)-1H-quinazoline-4-carboxamide Traditional Name: 6-bromo-3-(4-ethylphenyl)-4-hydroxy-2-keto-N-(3-pyrrolidin-1-ium-1-ylpropyl)-1H-quinazoline-4-carboxamide Formula: C24H30BrN4O3+ MolecularWeight: 502.424

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)NC3=C(C2(C(=O)NCCC[NH+]4CCCC4)O)C=C(C=C3)Br

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)NC3=C(C2(C(=O)NCCC[NH+]4CCCC4)O)C=C(C=C3)Br

InChI

InChI=1S/C24H29BrN4O3/c1-2-17-6-9-19(10-7-17)29-23(31)27-21-11-8-18(25)16-20(21)24(29,32)22(30)26-12-5-15-28-13-3-4-14-28/h6-11,16,32H,2-5,12-15H2,1H3,(H,26,30)(H,27,31)/p+1