[(1R)-2-piperidin-1-ium-1-ylcyclohexyl] N-(3-propoxyphenyl)carbamate chloride

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)NC(=O)OC2CCCCC2[NH+]3CCCCC3.[Cl-]

Isomeric SMILES

CCCOC1=CC=CC(=C1)NC(=O)O[C@@H]2CCCCC2[NH+]3CCCCC3.[Cl-]

InChI

InChI=1S/C21H32N2O3.ClH/c1-2-15-25-18-10-8-9-17(16-18)22-21(24)26-20-12-5-4-11-19(20)23-13-6-3-7-14-23;/h8-10,16,19-20H,2-7,11-15H2,1H3,(H,22,24);1H/t19?,20-;/m1./s1