ethyl 4-(3-morpholin-4-ium-4-ylpropylamino)-2-(trifluoromethyl)quinazoline-6-carboxylate

Systemtic Name: ethyl 4-(3-morpholin-4-ium-4-ylpropylamino)-2-(trifluoromethyl)quinazoline-6-carboxylate Openeye Name: ethyl 4-(3-morpholin-4-ium-4-ylpropylamino)-2-(trifluoromethyl)quinazoline-6-carboxylate CAS Name: 4-[3-(4-morpholin-4-iumyl)propylamino]-2-(trifluoromethyl)-6-quinazolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-morpholin-4-ium-4-ylpropylamino)-2-(trifluoromethyl)quinazoline-6-carboxylate Traditional Name: 4-(3-morpholin-4-ium-4-ylpropylamino)-2-(trifluoromethyl)quinazoline-6-carboxylic acid ethyl ester Formula: C19H24F3N4O3+ MolecularWeight: 413.41407

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(N=C2NCCC[NH+]3CCOCC3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(N=C2NCCC[NH+]3CCOCC3)C(F)(F)F

InChI

InChI=1S/C19H23F3N4O3/c1-2-29-17(27)13-4-5-15-14(12-13)16(25-18(24-15)19(20,21)22)23-6-3-7-26-8-10-28-11-9-26/h4-5,12H,2-3,6-11H2,1H3,(H,23,24,25)/p+1