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

Systemtic Name: 6-bromanyl-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-3-(3-methoxyphenyl)-4-oxidanyl-2-oxidanylidene-1H-quinazoline-4-carboxamide Openeye Name: 6-bromo-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1H-quinazoline-4-carboxamide CAS Name: 6-bromo-N-[(1-ethyl-2-pyrrolidin-1-iumyl)methyl]-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1H-quinazoline-4-carboxamide IUPAC Name: 6-bromo-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1H-quinazoline-4-carboxamide Traditional Name: 6-bromo-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-4-hydroxy-2-keto-3-(3-methoxyphenyl)-1H-quinazoline-4-carboxamide Formula: C23H28BrN4O4+ MolecularWeight: 504.39682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27BrN4O4/c1-3-27-11-5-7-17(27)14-25-21(29)23(31)19-12-15(24)9-10-20(19)26-22(30)28(23)16-6-4-8-18(13-16)32-2/h4,6,8-10,12-13,17,31H,3,5,7,11,14H2,1-2H3,(H,25,29)(H,26,30)/p+1