[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: [2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: [2-(3,4-dimethylanilino)-2-oxo-ethyl] 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 [2-(3,4-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylanilino)-2-oxoethyl] 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 [2-(3,4-dimethylanilino)-2-keto-ethyl] ester Formula: C24H27N4O5+ MolecularWeight: 451.49498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N=C(N3)C[NH+]4CCOCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N=C(N3)C[NH+]4CCOCC4)C

InChI

InChI=1S/C24H26N4O5/c1-15-3-5-18(11-16(15)2)25-22(29)14-33-24(31)17-4-6-19-20(12-17)26-21(27-23(19)30)13-28-7-9-32-10-8-28/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,25,29)(H,26,27,30)/p+1