methyl 4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]carbonylbenzoate

Systemtic Name: methyl 4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]carbonylbenzoate Openeye Name: methyl 4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]benzoate CAS Name: 4-[[4-[(2-fluorophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]benzoate Traditional Name: 4-[4-(2-fluorobenzyl)piperazin-4-ium-1-carbonyl]benzoic acid methyl ester Formula: C20H22FN2O3+ MolecularWeight: 357.398683

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3F

InChI

InChI=1S/C20H21FN2O3/c1-26-20(25)16-8-6-15(7-9-16)19(24)23-12-10-22(11-13-23)14-17-4-2-3-5-18(17)21/h2-9H,10-14H2,1H3/p+1