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

Systemtic Name: naphthalen-1-ylmethyl 2-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: 1-naphthylmethyl 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 1-naphthalenylmethyl ester IUPAC Name: naphthalen-1-ylmethyl 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 1-naphthylmethyl ester Formula: C25H24N3O4+ MolecularWeight: 430.47576

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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=CC5=CC=CC=C54

Isomeric SMILES

C1COCC[NH+]1CC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OCC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C25H23N3O4/c29-24-21-9-8-18(14-22(21)26-23(27-24)15-28-10-12-31-13-11-28)25(30)32-16-19-6-3-5-17-4-1-2-7-20(17)19/h1-9,14H,10-13,15-16H2,(H,26,27,29)/p+1