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

Systemtic Name: 6-bromanyl-3-(3-methoxyphenyl)-4-oxidanyl-2-oxidanylidene-N-(3-piperidin-1-ium-1-ylpropyl)-1H-quinazoline-4-carboxamide Openeye Name: 6-bromo-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-N-(3-piperidin-1-ium-1-ylpropyl)-1H-quinazoline-4-carboxamide CAS Name: 6-bromo-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-N-[3-(1-piperidin-1-iumyl)propyl]-1H-quinazoline-4-carboxamide IUPAC Name: 6-bromo-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-N-(3-piperidin-1-ium-1-ylpropyl)-1H-quinazoline-4-carboxamide Traditional Name: 6-bromo-4-hydroxy-2-keto-3-(3-methoxyphenyl)-N-(3-piperidin-1-ium-1-ylpropyl)-1H-quinazoline-4-carboxamide Formula: C24H30BrN4O4+ MolecularWeight: 518.4234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)NC3=C(C2(C(=O)NCCC[NH+]4CCCCC4)O)C=C(C=C3)Br

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)NC3=C(C2(C(=O)NCCC[NH+]4CCCCC4)O)C=C(C=C3)Br

InChI

InChI=1S/C24H29BrN4O4/c1-33-19-8-5-7-18(16-19)29-23(31)27-21-10-9-17(25)15-20(21)24(29,32)22(30)26-11-6-14-28-12-3-2-4-13-28/h5,7-10,15-16,32H,2-4,6,11-14H2,1H3,(H,26,30)(H,27,31)/p+1