diethyl-[(1R,2R)-2-[(4-pentoxyphenyl)carbamoyloxy]cyclohexyl]azanium chloride

Systemtic Name: diethyl-[(1R,2R)-2-[(4-pentoxyphenyl)carbamoyloxy]cyclohexyl]azanium chloride Openeye Name: diethyl-[(1R,2R)-2-[(4-pentoxyphenyl)carbamoyloxy]cyclohexyl]ammonium chloride CAS Name: diethyl-[(1R,2R)-2-[oxo-(4-pentoxyanilino)methoxy]cyclohexyl]ammonium chloride IUPAC Name: diethyl-[(1R,2R)-2-[(4-pentoxyphenyl)carbamoyloxy]cyclohexyl]azanium chloride Traditional Name: [(1R,2R)-2-[(4-amoxyphenyl)carbamoyloxy]cyclohexyl]-diethyl-ammonium chloride Formula: C22H37ClN2O3 MolecularWeight: 412.99378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36N2O3.ClH/c1-4-7-10-17-26-19-15-13-18(14-16-19)23-22(25)27-21-12-9-8-11-20(21)24(5-2)6-3;/h13-16,20-21H,4-12,17H2,1-3H3,(H,23,25);1H/t20-,21-;/m1./s1