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

Systemtic Name: 6-bromanyl-3-(2,4-dimethoxyphenyl)-4-oxidanyl-2-oxidanylidene-N-(3-piperidin-1-ium-1-ylpropyl)-1H-quinazoline-4-carboxamide Openeye Name: 6-bromo-3-(2,4-dimethoxyphenyl)-4-hydroxy-2-oxo-N-(3-piperidin-1-ium-1-ylpropyl)-1H-quinazoline-4-carboxamide CAS Name: 6-bromo-3-(2,4-dimethoxyphenyl)-4-hydroxy-2-oxo-N-[3-(1-piperidin-1-iumyl)propyl]-1H-quinazoline-4-carboxamide IUPAC Name: 6-bromo-3-(2,4-dimethoxyphenyl)-4-hydroxy-2-oxo-N-(3-piperidin-1-ium-1-ylpropyl)-1H-quinazoline-4-carboxamide Traditional Name: 6-bromo-3-(2,4-dimethoxyphenyl)-4-hydroxy-2-keto-N-(3-piperidin-1-ium-1-ylpropyl)-1H-quinazoline-4-carboxamide Formula: C25H32BrN4O5+ MolecularWeight: 548.44938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31BrN4O5/c1-34-18-8-10-21(22(16-18)35-2)30-24(32)28-20-9-7-17(26)15-19(20)25(30,33)23(31)27-11-6-14-29-12-4-3-5-13-29/h7-10,15-16,33H,3-6,11-14H2,1-2H3,(H,27,31)(H,28,32)/p+1