ethyl 1-[3-[(4-fluorophenyl)amino]-3-oxidanylidene-propyl]-4-phenyl-piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[3-[(4-fluorophenyl)amino]-3-oxidanylidene-propyl]-4-phenyl-piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[3-(4-fluoroanilino)-3-oxo-propyl]-4-phenyl-piperidin-1-ium-4-carboxylate CAS Name: 1-[3-(4-fluoroanilino)-3-oxopropyl]-4-phenyl-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(4-fluoroanilino)-3-oxopropyl]-4-phenylpiperidin-1-ium-4-carboxylate Traditional Name: 1-[3-(4-fluoroanilino)-3-keto-propyl]-4-phenyl-piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C23H28FN2O3+ MolecularWeight: 399.478423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27FN2O3/c1-2-29-22(28)23(18-6-4-3-5-7-18)13-16-26(17-14-23)15-12-21(27)25-20-10-8-19(24)9-11-20/h3-11H,2,12-17H2,1H3,(H,25,27)/p+1