ethyl (2R)-1-[[3-(1-cyclohexylcarbonylpiperidin-4-yl)oxyphenyl]methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: ethyl (2R)-1-[[3-(1-cyclohexylcarbonylpiperidin-4-yl)oxyphenyl]methyl]piperidin-1-ium-2-carboxylate Openeye Name: ethyl (2R)-1-[[3-[[1-(cyclohexanecarbonyl)-4-piperidyl]oxy]phenyl]methyl]piperidin-1-ium-2-carboxylate CAS Name: (2R)-1-[[3-[[1-[cyclohexyl(oxo)methyl]-4-piperidinyl]oxy]phenyl]methyl]-2-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1-[[3-[1-(cyclohexanecarbonyl)piperidin-4-yl]oxyphenyl]methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2R)-1-[3-[[1-(cyclohexanecarbonyl)-4-piperidyl]oxy]benzyl]piperidin-1-ium-2-carboxylic acid ethyl ester Formula: C27H41N2O4+ MolecularWeight: 457.62544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCC[NH+]1CC2=CC(=CC=C2)OC3CCN(CC3)C(=O)C4CCCCC4

Isomeric SMILES

CCOC(=O)[C@H]1CCCC[NH+]1CC2=CC(=CC=C2)OC3CCN(CC3)C(=O)C4CCCCC4

InChI

InChI=1S/C27H40N2O4/c1-2-32-27(31)25-13-6-7-16-29(25)20-21-9-8-12-24(19-21)33-23-14-17-28(18-15-23)26(30)22-10-4-3-5-11-22/h8-9,12,19,22-23,25H,2-7,10-11,13-18,20H2,1H3/p+1/t25-/m1/s1