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

Systemtic Name: [(1S,2S)-2-pyrrolidin-1-ium-1-ylcyclohexyl] N-(4-hexoxyphenyl)carbamate chloride Openeye Name: [(1S,2S)-2-pyrrolidin-1-ium-1-ylcyclohexyl] N-(4-hexoxyphenyl)carbamate chloride CAS Name: N-(4-hexoxyphenyl)carbamic acid [(1S,2S)-2-(1-pyrrolidin-1-iumyl)cyclohexyl] ester chloride IUPAC Name: [(1S,2S)-2-pyrrolidin-1-ium-1-ylcyclohexyl] N-(4-hexoxyphenyl)carbamate chloride Traditional Name: N-(4-hexoxyphenyl)carbamic acid [(1S,2S)-2-pyrrolidin-1-ium-1-ylcyclohexyl] ester chloride Formula: C23H37ClN2O3 MolecularWeight: 425.00448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)NC(=O)OC2CCCCC2[NH+]3CCCC3.[Cl-]

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)NC(=O)O[C@H]2CCCC[C@@H]2[NH+]3CCCC3.[Cl-]

InChI

InChI=1S/C23H36N2O3.ClH/c1-2-3-4-9-18-27-20-14-12-19(13-15-20)24-23(26)28-22-11-6-5-10-21(22)25-16-7-8-17-25;/h12-15,21-22H,2-11,16-18H2,1H3,(H,24,26);1H/t21-,22-;/m0./s1