methyl 4-[[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]amino]benzoate CAS Name: 4-[[[4-[(3-fluorophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]amino]benzoate Traditional Name: 4-[[4-(3-fluorobenzyl)piperazin-4-ium-1-carbonyl]amino]benzoic acid methyl ester Formula: C20H23FN3O3+ MolecularWeight: 372.413323

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C20H22FN3O3/c1-27-19(25)16-5-7-18(8-6-16)22-20(26)24-11-9-23(10-12-24)14-15-3-2-4-17(21)13-15/h2-8,13H,9-12,14H2,1H3,(H,22,26)/p+1