(phenylmethyl) 1-[fluoranyl-(4-methoxycarbonylcyclohexyl)oxy-methyl]pyrrolidin-1-ium-1-carboxylate

Systemtic Name: (phenylmethyl) 1-[fluoranyl-(4-methoxycarbonylcyclohexyl)oxy-methyl]pyrrolidin-1-ium-1-carboxylate Openeye Name: benzyl 1-[fluoro-(4-methoxycarbonylcyclohexoxy)methyl]pyrrolidin-1-ium-1-carboxylate CAS Name: 1-[fluoro-(4-methoxycarbonylcyclohexyl)oxymethyl]-1-pyrrolidin-1-iumcarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[fluoro-(4-methoxycarbonylcyclohexyl)oxymethyl]pyrrolidin-1-ium-1-carboxylate Traditional Name: 1-[(4-carbomethoxycyclohexoxy)-fluoro-methyl]pyrrolidin-1-ium-1-carboxylic acid benzyl ester Formula: C21H29FNO5+ MolecularWeight: 394.457063

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)OC([N+]2(CCCC2)C(=O)OCC3=CC=CC=C3)F

Isomeric SMILES

COC(=O)C1CCC(CC1)OC([N+]2(CCCC2)C(=O)OCC3=CC=CC=C3)F

InChI

InChI=1S/C21H29FNO5/c1-26-19(24)17-9-11-18(12-10-17)28-20(22)23(13-5-6-14-23)21(25)27-15-16-7-3-2-4-8-16/h2-4,7-8,17-18,20H,5-6,9-15H2,1H3/q+1