ethyl 1-[3-[(4-bromanyl-2-fluoranyl-phenyl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[3-[(4-bromanyl-2-fluoranyl-phenyl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[3-(4-bromo-2-fluoro-anilino)-3-oxo-propyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[3-(4-bromo-2-fluoroanilino)-3-oxopropyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(4-bromo-2-fluoroanilino)-3-oxopropyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[3-(4-bromo-2-fluoro-anilino)-3-keto-propyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C17H23BrFN2O3+ MolecularWeight: 402.278523

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CCC(=O)NC2=C(C=C(C=C2)Br)F

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CCC(=O)NC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C17H22BrFN2O3/c1-2-24-17(23)12-5-8-21(9-6-12)10-7-16(22)20-15-4-3-13(18)11-14(15)19/h3-4,11-12H,2,5-10H2,1H3,(H,20,22)/p+1