(4-cyanophenyl)methyl 2-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: (4-cyanophenyl)methyl 2-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: (4-cyanophenyl)methyl 2-(morpholin-4-ium-4-ylmethyl)-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-(4-morpholin-4-iumylmethyl)-4-oxo-1H-quinazoline-7-carboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-(morpholin-4-ium-4-ylmethyl)-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-(morpholin-4-ium-4-ylmethyl)-1H-quinazoline-7-carboxylic acid (4-cyanobenzyl) ester Formula: C22H21N4O4+ MolecularWeight: 405.42654

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1COCC[NH+]1CC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H20N4O4/c23-12-15-1-3-16(4-2-15)14-30-22(28)17-5-6-18-19(11-17)24-20(25-21(18)27)13-26-7-9-29-10-8-26/h1-6,11H,7-10,13-14H2,(H,24,25,27)/p+1