[(1S,2S)-2-piperidin-1-ylcyclohexyl] N-(3-butoxyphenyl)carbamate hydrochloride

Systemtic Name: [(1S,2S)-2-piperidin-1-ylcyclohexyl] N-(3-butoxyphenyl)carbamate hydrochloride Openeye Name: [(1S,2S)-2-(1-piperidyl)cyclohexyl] N-(3-butoxyphenyl)carbamate hydrochloride CAS Name: N-(3-butoxyphenyl)carbamic acid [(1S,2S)-2-(1-piperidinyl)cyclohexyl] ester hydrochloride IUPAC Name: [(1S,2S)-2-piperidin-1-ylcyclohexyl] N-(3-butoxyphenyl)carbamate hydrochloride Traditional Name: N-(3-butoxyphenyl)carbamic acid [(1S,2S)-2-piperidinocyclohexyl] ester hydrochloride Formula: C22H35ClN2O3 MolecularWeight: 410.9779

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)NC(=O)OC2CCCCC2N3CCCCC3.Cl

Isomeric SMILES

CCCCOC1=CC=CC(=C1)NC(=O)O[C@H]2CCCC[C@@H]2N3CCCCC3.Cl

InChI

InChI=1S/C22H34N2O3.ClH/c1-2-3-16-26-19-11-9-10-18(17-19)23-22(25)27-21-13-6-5-12-20(21)24-14-7-4-8-15-24;/h9-11,17,20-21H,2-8,12-16H2,1H3,(H,23,25);1H/t20-,21-;/m0./s1