[(1R,2R)-2-piperidin-1-ium-1-ylcyclohexyl] N-(3-butoxyphenyl)carbamate chloride

Systemtic Name: [(1R,2R)-2-piperidin-1-ium-1-ylcyclohexyl] N-(3-butoxyphenyl)carbamate chloride Openeye Name: [(1R,2R)-2-piperidin-1-ium-1-ylcyclohexyl] N-(3-butoxyphenyl)carbamate chloride CAS Name: N-(3-butoxyphenyl)carbamic acid [(1R,2R)-2-(1-piperidin-1-iumyl)cyclohexyl] ester chloride IUPAC Name: [(1R,2R)-2-piperidin-1-ium-1-ylcyclohexyl] N-(3-butoxyphenyl)carbamate chloride Traditional Name: N-(3-butoxyphenyl)carbamic acid [(1R,2R)-2-piperidin-1-ium-1-ylcyclohexyl] ester chloride Formula: C22H35ClN2O3 MolecularWeight: 410.9779

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)NC(=O)OC2CCCCC2[NH+]3CCCCC3.[Cl-]

Isomeric SMILES

CCCCOC1=CC=CC(=C1)NC(=O)O[C@@H]2CCCC[C@H]2[NH+]3CCCCC3.[Cl-]

InChI

InChI=1S/C22H34N2O3.ClH/c1-2-3-16-26-19-11-9-10-18(17-19)23-22(25)27-21-13-6-5-12-20(21)24-14-7-4-8-15-24;/h9-11,17,20-21H,2-8,12-16H2,1H3,(H,23,25);1H/t20-,21-;/m1./s1