[(1S,2S)-2-piperidin-1-ium-1-ylcyclohexyl] N-(4-hexoxyphenyl)carbamate chloride

Systemtic Name: [(1S,2S)-2-piperidin-1-ium-1-ylcyclohexyl] N-(4-hexoxyphenyl)carbamate chloride Openeye Name: [(1S,2S)-2-piperidin-1-ium-1-ylcyclohexyl] N-(4-hexoxyphenyl)carbamate chloride CAS Name: N-(4-hexoxyphenyl)carbamic acid [(1S,2S)-2-(1-piperidin-1-iumyl)cyclohexyl] ester chloride IUPAC Name: [(1S,2S)-2-piperidin-1-ium-1-ylcyclohexyl] N-(4-hexoxyphenyl)carbamate chloride Traditional Name: N-(4-hexoxyphenyl)carbamic acid [(1S,2S)-2-piperidin-1-ium-1-ylcyclohexyl] ester chloride Formula: C24H39ClN2O3 MolecularWeight: 439.03106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)NC(=O)OC2CCCCC2[NH+]3CCCCC3.[Cl-]

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)NC(=O)O[C@H]2CCCC[C@@H]2[NH+]3CCCCC3.[Cl-]

InChI

InChI=1S/C24H38N2O3.ClH/c1-2-3-4-10-19-28-21-15-13-20(14-16-21)25-24(27)29-23-12-7-6-11-22(23)26-17-8-5-9-18-26;/h13-16,22-23H,2-12,17-19H2,1H3,(H,25,27);1H/t22-,23-;/m0./s1