methyl 4-[1-[(4-fluorophenyl)carbonylamino]piperazin-1-ium-1-yl]carbonylbenzoate

Systemtic Name: methyl 4-[1-[(4-fluorophenyl)carbonylamino]piperazin-1-ium-1-yl]carbonylbenzoate Openeye Name: methyl 4-[1-[(4-fluorobenzoyl)amino]piperazin-1-ium-1-carbonyl]benzoate CAS Name: 4-[[1-[[(4-fluorophenyl)-oxomethyl]amino]-1-piperazin-1-iumyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[1-[(4-fluorobenzoyl)amino]piperazin-1-ium-1-carbonyl]benzoate Traditional Name: 4-[1-[(4-fluorobenzoyl)amino]piperazin-1-ium-1-carbonyl]benzoic acid methyl ester Formula: C20H21FN3O4+ MolecularWeight: 386.396843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)[N+]2(CCNCC2)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)[N+]2(CCNCC2)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H20FN3O4/c1-28-20(27)16-4-2-15(3-5-16)19(26)24(12-10-22-11-13-24)23-18(25)14-6-8-17(21)9-7-14/h2-9,22H,10-13H2,1H3/p+1