ethyl 1-[2-oxidanylidene-2-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]amino]ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-oxidanylidene-2-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]amino]ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-oxo-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-oxo-2-[2-(1-pyrrolidinyl)-5-(trifluoromethyl)anilino]ethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-oxo-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]ethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-[2-pyrrolidino-5-(trifluoromethyl)anilino]ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H29F3N3O3+ MolecularWeight: 428.46847

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3

InChI

InChI=1S/C21H28F3N3O3/c1-2-30-20(29)15-7-11-26(12-8-15)14-19(28)25-17-13-16(21(22,23)24)5-6-18(17)27-9-3-4-10-27/h5-6,13,15H,2-4,7-12,14H2,1H3,(H,25,28)/p+1