ethyl 4-[2-(trifluoromethyl)quinolin-1-ium-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(trifluoromethyl)quinolin-1-ium-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(trifluoromethyl)quinolin-1-ium-4-yl]piperazine-1-carboxylate CAS Name: 4-[2-(trifluoromethyl)-4-quinolin-1-iumyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(trifluoromethyl)quinolin-1-ium-4-yl]piperazine-1-carboxylate Traditional Name: 4-[2-(trifluoromethyl)quinolin-1-ium-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C17H19F3N3O2+ MolecularWeight: 354.34687

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=CC(=[NH+]C3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=CC(=[NH+]C3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C17H18F3N3O2/c1-2-25-16(24)23-9-7-22(8-10-23)14-11-15(17(18,19)20)21-13-6-4-3-5-12(13)14/h3-6,11H,2,7-10H2,1H3/p+1