1-piperidin-1-ium-1-ylpropan-2-yl N-(3-hexoxyphenyl)carbamate chloride

Systemtic Name: 1-piperidin-1-ium-1-ylpropan-2-yl N-(3-hexoxyphenyl)carbamate chloride Openeye Name: (1-methyl-2-piperidin-1-ium-1-yl-ethyl) N-(3-hexoxyphenyl)carbamate chloride CAS Name: N-(3-hexoxyphenyl)carbamic acid 1-(1-piperidin-1-iumyl)propan-2-yl ester chloride IUPAC Name: 1-piperidin-1-ium-1-ylpropan-2-yl N-(3-hexoxyphenyl)carbamate chloride Traditional Name: N-(3-hexoxyphenyl)carbamic acid (1-methyl-2-piperidin-1-ium-1-yl-ethyl) ester chloride Formula: C21H35ClN2O3 MolecularWeight: 398.9672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC(=C1)NC(=O)OC(C)C[NH+]2CCCCC2.[Cl-]

Isomeric SMILES

CCCCCCOC1=CC=CC(=C1)NC(=O)OC(C)C[NH+]2CCCCC2.[Cl-]

InChI

InChI=1S/C21H34N2O3.ClH/c1-3-4-5-9-15-25-20-12-10-11-19(16-20)22-21(24)26-18(2)17-23-13-7-6-8-14-23;/h10-12,16,18H,3-9,13-15,17H2,1-2H3,(H,22,24);1H