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

Systemtic Name: [(2R)-2-piperidin-1-ium-1-ylcyclohexyl] N-(3-pentoxyphenyl)carbamate chloride Openeye Name: [(2R)-2-piperidin-1-ium-1-ylcyclohexyl] N-(3-pentoxyphenyl)carbamate chloride CAS Name: N-(3-pentoxyphenyl)carbamic acid [(2R)-2-(1-piperidin-1-iumyl)cyclohexyl] ester chloride IUPAC Name: [(2R)-2-piperidin-1-ium-1-ylcyclohexyl] N-(3-pentoxyphenyl)carbamate chloride Traditional Name: N-(3-amoxyphenyl)carbamic acid [(2R)-2-piperidin-1-ium-1-ylcyclohexyl] ester chloride Formula: C23H37ClN2O3 MolecularWeight: 425.00448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC(=C1)NC(=O)OC2CCCCC2[NH+]3CCCCC3.[Cl-]

Isomeric SMILES

CCCCCOC1=CC=CC(=C1)NC(=O)OC2CCCC[C@H]2[NH+]3CCCCC3.[Cl-]

InChI

InChI=1S/C23H36N2O3.ClH/c1-2-3-9-17-27-20-12-10-11-19(18-20)24-23(26)28-22-14-6-5-13-21(22)25-15-7-4-8-16-25;/h10-12,18,21-22H,2-9,13-17H2,1H3,(H,24,26);1H/t21-,22?;/m1./s1