[(1R,2S)-2-[2-[(3-butoxyphenyl)carbamoyloxy]ethyl]cyclohexyl]-dimethyl-azanium chloride

Systemtic Name: [(1R,2S)-2-[2-[(3-butoxyphenyl)carbamoyloxy]ethyl]cyclohexyl]-dimethyl-azanium chloride Openeye Name: [(1R,2S)-2-[2-[(3-butoxyphenyl)carbamoyloxy]ethyl]cyclohexyl]-dimethyl-ammonium chloride CAS Name: [(1R,2S)-2-[2-[(3-butoxyanilino)-oxomethoxy]ethyl]cyclohexyl]-dimethylammonium chloride IUPAC Name: [(1R,2S)-2-[2-[(3-butoxyphenyl)carbamoyloxy]ethyl]cyclohexyl]-dimethylazanium chloride Traditional Name: [(1R,2S)-2-[2-[(3-butoxyphenyl)carbamoyloxy]ethyl]cyclohexyl]-dimethyl-ammonium chloride Formula: C21H35ClN2O3 MolecularWeight: 398.9672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)NC(=O)OCCC2CCCCC2[NH+](C)C.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C21H34N2O3.ClH/c1-4-5-14-25-19-11-8-10-18(16-19)22-21(24)26-15-13-17-9-6-7-12-20(17)23(2)3;/h8,10-11,16-17,20H,4-7,9,12-15H2,1-3H3,(H,22,24);1H/t17-,20+;/m0./s1