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

Systemtic Name: ethyl 4-[2-[(2-fluorophenyl)carbamoylamino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[(2-fluorophenyl)carbamoylamino]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[[(2-fluoroanilino)-oxomethyl]amino]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-[(2-fluorophenyl)carbamoylamino]-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C16H22FN4O4+ MolecularWeight: 353.368683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC(=O)NC2=CC=CC=C2F

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC(=O)NC2=CC=CC=C2F

InChI

InChI=1S/C16H21FN4O4/c1-2-25-16(24)21-9-7-20(8-10-21)11-14(22)19-15(23)18-13-6-4-3-5-12(13)17/h3-6H,2,7-11H2,1H3,(H2,18,19,22,23)/p+1