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

Systemtic Name: ethyl 4-[3-[(4-bromanyl-2-fluoranyl-phenyl)amino]-3-oxidanylidene-propyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[3-(4-bromo-2-fluoro-anilino)-3-oxo-propyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[3-(4-bromo-2-fluoroanilino)-3-oxopropyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-bromo-2-fluoroanilino)-3-oxopropyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[3-(4-bromo-2-fluoro-anilino)-3-keto-propyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C16H22BrFN3O3+ MolecularWeight: 403.266583

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CCC(=O)NC2=C(C=C(C=C2)Br)F

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CCC(=O)NC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C16H21BrFN3O3/c1-2-24-16(23)21-9-7-20(8-10-21)6-5-15(22)19-14-4-3-12(17)11-13(14)18/h3-4,11H,2,5-10H2,1H3,(H,19,22)/p+1