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

Systemtic Name: (phenylmethyl) 1-[(4-methoxycarbonylcyclohexyl)oxy-oxidanyl-methyl]pyrrolidin-1-ium-1-carboxylate Openeye Name: benzyl 1-[hydroxy-(4-methoxycarbonylcyclohexoxy)methyl]pyrrolidin-1-ium-1-carboxylate CAS Name: 1-[hydroxy-(4-methoxycarbonylcyclohexyl)oxymethyl]-1-pyrrolidin-1-iumcarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[hydroxy-(4-methoxycarbonylcyclohexyl)oxymethyl]pyrrolidin-1-ium-1-carboxylate Traditional Name: 1-[(4-carbomethoxycyclohexoxy)-hydroxy-methyl]pyrrolidin-1-ium-1-carboxylic acid benzyl ester Formula: C21H30NO6+ MolecularWeight: 392.466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30NO6/c1-26-19(23)17-9-11-18(12-10-17)28-21(25)22(13-5-6-14-22)20(24)27-15-16-7-3-2-4-8-16/h2-4,7-8,17-18,21,25H,5-6,9-15H2,1H3/q+1