ethyl 1-[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[(4-fluorobenzyl)amino]-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C17H24FN2O3+ MolecularWeight: 323.382463

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(=O)NCC2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC(=O)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C17H23FN2O3/c1-2-23-17(22)14-7-9-20(10-8-14)12-16(21)19-11-13-3-5-15(18)6-4-13/h3-6,14H,2,7-12H2,1H3,(H,19,21)/p+1