[(1S,2S)-2-pyrrolidin-1-ium-1-ylcyclohexyl] N-(3-propoxyphenyl)carbamate chloride

Systemtic Name: [(1S,2S)-2-pyrrolidin-1-ium-1-ylcyclohexyl] N-(3-propoxyphenyl)carbamate chloride Openeye Name: [(1S,2S)-2-pyrrolidin-1-ium-1-ylcyclohexyl] N-(3-propoxyphenyl)carbamate chloride CAS Name: N-(3-propoxyphenyl)carbamic acid [(1S,2S)-2-(1-pyrrolidin-1-iumyl)cyclohexyl] ester chloride IUPAC Name: [(1S,2S)-2-pyrrolidin-1-ium-1-ylcyclohexyl] N-(3-propoxyphenyl)carbamate chloride Traditional Name: N-(3-propoxyphenyl)carbamic acid [(1S,2S)-2-pyrrolidin-1-ium-1-ylcyclohexyl] ester chloride Formula: C20H31ClN2O3 MolecularWeight: 382.92474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)NC(=O)OC2CCCCC2[NH+]3CCCC3.[Cl-]

Isomeric SMILES

CCCOC1=CC=CC(=C1)NC(=O)O[C@H]2CCCC[C@@H]2[NH+]3CCCC3.[Cl-]

InChI

InChI=1S/C20H30N2O3.ClH/c1-2-14-24-17-9-7-8-16(15-17)21-20(23)25-19-11-4-3-10-18(19)22-12-5-6-13-22;/h7-9,15,18-19H,2-6,10-14H2,1H3,(H,21,23);1H/t18-,19-;/m0./s1