1-[[3-(2,5-dimethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[[3-(2,5-dimethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[[3-(2,5-dimethoxyphenyl)-4-oxo-quinazolin-2-yl]methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[[3-(2,5-dimethoxyphenyl)-4-oxo-2-quinazolinyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[3-(2,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[[3-(2,5-dimethoxyphenyl)-4-keto-quinazolin-2-yl]methyl]piperidin-1-ium-4-carboxamide Formula: C23H27N4O4+ MolecularWeight: 423.48488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)N2C(=NC3=CC=CC=C3C2=O)C[NH+]4CCC(CC4)C(=O)N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)N2C(=NC3=CC=CC=C3C2=O)C[NH+]4CCC(CC4)C(=O)N

InChI

InChI=1S/C23H26N4O4/c1-30-16-7-8-20(31-2)19(13-16)27-21(14-26-11-9-15(10-12-26)22(24)28)25-18-6-4-3-5-17(18)23(27)29/h3-8,13,15H,9-12,14H2,1-2H3,(H2,24,28)/p+1