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

Systemtic Name: [(1S,2S)-2-pyrrolidin-1-ium-1-ylcyclohexyl] N-(3-butoxyphenyl)carbamate chloride Openeye Name: [(1S,2S)-2-pyrrolidin-1-ium-1-ylcyclohexyl] N-(3-butoxyphenyl)carbamate chloride CAS Name: N-(3-butoxyphenyl)carbamic acid [(1S,2S)-2-(1-pyrrolidin-1-iumyl)cyclohexyl] ester chloride IUPAC Name: [(1S,2S)-2-pyrrolidin-1-ium-1-ylcyclohexyl] N-(3-butoxyphenyl)carbamate chloride Traditional Name: N-(3-butoxyphenyl)carbamic acid [(1S,2S)-2-pyrrolidin-1-ium-1-ylcyclohexyl] ester chloride Formula: C21H33ClN2O3 MolecularWeight: 396.95132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)NC(=O)OC2CCCCC2[NH+]3CCCC3.[Cl-]

Isomeric SMILES

CCCCOC1=CC=CC(=C1)NC(=O)O[C@H]2CCCC[C@@H]2[NH+]3CCCC3.[Cl-]

InChI

InChI=1S/C21H32N2O3.ClH/c1-2-3-15-25-18-10-8-9-17(16-18)22-21(24)26-20-12-5-4-11-19(20)23-13-6-7-14-23;/h8-10,16,19-20H,2-7,11-15H2,1H3,(H,22,24);1H/t19-,20-;/m0./s1