propyl 4-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanoylamino]benzoate

Systemtic Name: propyl 4-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: propyl 4-[[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]amino]benzoic acid propyl ester Formula: C22H27FN3O3+ MolecularWeight: 400.466483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H26FN3O3/c1-2-15-29-22(28)17-3-7-19(8-4-17)24-21(27)16-25-11-13-26(14-12-25)20-9-5-18(23)6-10-20/h3-10H,2,11-16H2,1H3,(H,24,27)/p+1