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

Systemtic Name: butyl 4-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C23H29FN3O3+ MolecularWeight: 414.493063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28FN3O3/c1-2-3-16-30-23(29)18-4-8-20(9-5-18)25-22(28)17-26-12-14-27(15-13-26)21-10-6-19(24)7-11-21/h4-11H,2-3,12-17H2,1H3,(H,25,28)/p+1