diethyl-[(1R,2R)-2-[(3-pentoxyphenyl)carbamoyloxy]cyclohexyl]azanium chloride

Systemtic Name: diethyl-[(1R,2R)-2-[(3-pentoxyphenyl)carbamoyloxy]cyclohexyl]azanium chloride Openeye Name: diethyl-[(1R,2R)-2-[(3-pentoxyphenyl)carbamoyloxy]cyclohexyl]ammonium chloride CAS Name: diethyl-[(1R,2R)-2-[oxo-(3-pentoxyanilino)methoxy]cyclohexyl]ammonium chloride IUPAC Name: diethyl-[(1R,2R)-2-[(3-pentoxyphenyl)carbamoyloxy]cyclohexyl]azanium chloride Traditional Name: [(1R,2R)-2-[(3-amoxyphenyl)carbamoyloxy]cyclohexyl]-diethyl-ammonium chloride Formula: C22H37ClN2O3 MolecularWeight: 412.99378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC(=C1)NC(=O)OC2CCCCC2[NH+](CC)CC.[Cl-]

Isomeric SMILES

CCCCCOC1=CC=CC(=C1)NC(=O)O[C@@H]2CCCC[C@H]2[NH+](CC)CC.[Cl-]

InChI

InChI=1S/C22H36N2O3.ClH/c1-4-7-10-16-26-19-13-11-12-18(17-19)23-22(25)27-21-15-9-8-14-20(21)24(5-2)6-3;/h11-13,17,20-21H,4-10,14-16H2,1-3H3,(H,23,25);1H/t20-,21-;/m1./s1