diethyl-[(1S,2S)-2-[(4-hexoxyphenyl)carbamoyloxy]cyclohexyl]azanium chloride

Systemtic Name: diethyl-[(1S,2S)-2-[(4-hexoxyphenyl)carbamoyloxy]cyclohexyl]azanium chloride Openeye Name: diethyl-[(1S,2S)-2-[(4-hexoxyphenyl)carbamoyloxy]cyclohexyl]ammonium chloride CAS Name: diethyl-[(1S,2S)-2-[(4-hexoxyanilino)-oxomethoxy]cyclohexyl]ammonium chloride IUPAC Name: diethyl-[(1S,2S)-2-[(4-hexoxyphenyl)carbamoyloxy]cyclohexyl]azanium chloride Traditional Name: diethyl-[(1S,2S)-2-[(4-hexoxyphenyl)carbamoyloxy]cyclohexyl]ammonium chloride Formula: C23H39ClN2O3 MolecularWeight: 427.02036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H38N2O3.ClH/c1-4-7-8-11-18-27-20-16-14-19(15-17-20)24-23(26)28-22-13-10-9-12-21(22)25(5-2)6-3;/h14-17,21-22H,4-13,18H2,1-3H3,(H,24,26);1H/t21-,22-;/m0./s1