diethyl-[(1S,2S)-2-[(3-hexoxyphenyl)carbamoyloxy]cyclohexyl]azanium chloride

Systemtic Name: diethyl-[(1S,2S)-2-[(3-hexoxyphenyl)carbamoyloxy]cyclohexyl]azanium chloride Openeye Name: diethyl-[(1S,2S)-2-[(3-hexoxyphenyl)carbamoyloxy]cyclohexyl]ammonium chloride CAS Name: diethyl-[(1S,2S)-2-[(3-hexoxyanilino)-oxomethoxy]cyclohexyl]ammonium chloride IUPAC Name: diethyl-[(1S,2S)-2-[(3-hexoxyphenyl)carbamoyloxy]cyclohexyl]azanium chloride Traditional Name: diethyl-[(1S,2S)-2-[(3-hexoxyphenyl)carbamoyloxy]cyclohexyl]ammonium chloride Formula: C23H39ClN2O3 MolecularWeight: 427.02036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC(=C1)NC(=O)OC2CCCCC2[NH+](CC)CC.[Cl-]

Isomeric SMILES

CCCCCCOC1=CC=CC(=C1)NC(=O)O[C@H]2CCCC[C@@H]2[NH+](CC)CC.[Cl-]

InChI

InChI=1S/C23H38N2O3.ClH/c1-4-7-8-11-17-27-20-14-12-13-19(18-20)24-23(26)28-22-16-10-9-15-21(22)25(5-2)6-3;/h12-14,18,21-22H,4-11,15-17H2,1-3H3,(H,24,26);1H/t21-,22-;/m0./s1