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

Systemtic Name: ethyl 1-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-4-phenyl-piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-(4-fluoroanilino)-2-oxo-ethyl]-4-phenyl-piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(4-fluoroanilino)-2-oxoethyl]-4-phenyl-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-fluoroanilino)-2-oxoethyl]-4-phenylpiperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(4-fluoroanilino)-2-keto-ethyl]-4-phenyl-piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C22H26FN2O3+ MolecularWeight: 385.451843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)F)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)F)C3=CC=CC=C3

InChI

InChI=1S/C22H25FN2O3/c1-2-28-21(27)22(17-6-4-3-5-7-17)12-14-25(15-13-22)16-20(26)24-19-10-8-18(23)9-11-19/h3-11H,2,12-16H2,1H3,(H,24,26)/p+1