methyl 4-[2-[4-[(2-fluorophenyl)carbonylamino]piperidin-1-ium-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[4-[(2-fluorophenyl)carbonylamino]piperidin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[4-[(2-fluorobenzoyl)amino]piperidin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-[[(2-fluorophenyl)-oxomethyl]amino]-1-piperidin-1-iumyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-[(2-fluorobenzoyl)amino]piperidin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-[(2-fluorobenzoyl)amino]piperidin-1-ium-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C22H25FN3O4+ MolecularWeight: 414.450003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCC(CC2)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCC(CC2)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C22H24FN3O4/c1-30-22(29)15-6-8-16(9-7-15)24-20(27)14-26-12-10-17(11-13-26)25-21(28)18-4-2-3-5-19(18)23/h2-9,17H,10-14H2,1H3,(H,24,27)(H,25,28)/p+1