ethyl 4-[2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C18H24FN4O3+ MolecularWeight: 363.406563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)N(CCC#N)C2=CC=CC=C2F

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)N(CCC#N)C2=CC=CC=C2F

InChI

InChI=1S/C18H23FN4O3/c1-2-26-18(25)22-12-10-21(11-13-22)14-17(24)23(9-5-8-20)16-7-4-3-6-15(16)19/h3-4,6-7H,2,5,9-14H2,1H3/p+1