ethyl 4-(4-ethylpiperazin-4-ium-1-yl)-2-(trifluoromethyl)quinazoline-6-carboxylate

Systemtic Name: ethyl 4-(4-ethylpiperazin-4-ium-1-yl)-2-(trifluoromethyl)quinazoline-6-carboxylate Openeye Name: ethyl 4-(4-ethylpiperazin-4-ium-1-yl)-2-(trifluoromethyl)quinazoline-6-carboxylate CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)-2-(trifluoromethyl)-6-quinazolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-ethylpiperazin-4-ium-1-yl)-2-(trifluoromethyl)quinazoline-6-carboxylate Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)-2-(trifluoromethyl)quinazoline-6-carboxylic acid ethyl ester Formula: C18H22F3N4O2+ MolecularWeight: 383.38809

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC(=NC3=C2C=C(C=C3)C(=O)OCC)C(F)(F)F

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC(=NC3=C2C=C(C=C3)C(=O)OCC)C(F)(F)F

InChI

InChI=1S/C18H21F3N4O2/c1-3-24-7-9-25(10-8-24)15-13-11-12(16(26)27-4-2)5-6-14(13)22-17(23-15)18(19,20)21/h5-6,11H,3-4,7-10H2,1-2H3/p+1