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

Systemtic Name: 3-(2,4-dimethoxyphenyl)-4-oxidanyl-2-oxidanylidene-N-(3-piperidin-1-ium-1-ylpropyl)-1H-quinazoline-4-carboxamide Openeye Name: 3-(2,4-dimethoxyphenyl)-4-hydroxy-2-oxo-N-(3-piperidin-1-ium-1-ylpropyl)-1H-quinazoline-4-carboxamide CAS Name: 3-(2,4-dimethoxyphenyl)-4-hydroxy-2-oxo-N-[3-(1-piperidin-1-iumyl)propyl]-1H-quinazoline-4-carboxamide IUPAC Name: 3-(2,4-dimethoxyphenyl)-4-hydroxy-2-oxo-N-(3-piperidin-1-ium-1-ylpropyl)-1H-quinazoline-4-carboxamide Traditional Name: 3-(2,4-dimethoxyphenyl)-4-hydroxy-2-keto-N-(3-piperidin-1-ium-1-ylpropyl)-1H-quinazoline-4-carboxamide Formula: C25H33N4O5+ MolecularWeight: 469.55332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2C(=O)NC3=CC=CC=C3C2(C(=O)NCCC[NH+]4CCCCC4)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)N2C(=O)NC3=CC=CC=C3C2(C(=O)NCCC[NH+]4CCCCC4)O)OC

InChI

InChI=1S/C25H32N4O5/c1-33-18-11-12-21(22(17-18)34-2)29-24(31)27-20-10-5-4-9-19(20)25(29,32)23(30)26-13-8-16-28-14-6-3-7-15-28/h4-5,9-12,17,32H,3,6-8,13-16H2,1-2H3,(H,26,30)(H,27,31)/p+1