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

Systemtic Name: 1-piperidin-1-ium-1-ylpropan-2-yl N-(2-heptoxyphenyl)carbamate chloride Openeye Name: (1-methyl-2-piperidin-1-ium-1-yl-ethyl) N-(2-heptoxyphenyl)carbamate chloride CAS Name: N-(2-heptoxyphenyl)carbamic acid 1-(1-piperidin-1-iumyl)propan-2-yl ester chloride IUPAC Name: 1-piperidin-1-ium-1-ylpropan-2-yl N-(2-heptoxyphenyl)carbamate chloride Traditional Name: N-(2-heptoxyphenyl)carbamic acid (1-methyl-2-piperidin-1-ium-1-yl-ethyl) ester chloride Formula: C22H37ClN2O3 MolecularWeight: 412.99378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=CC=C1NC(=O)OC(C)C[NH+]2CCCCC2.[Cl-]

Isomeric SMILES

CCCCCCCOC1=CC=CC=C1NC(=O)OC(C)C[NH+]2CCCCC2.[Cl-]

InChI

InChI=1S/C22H36N2O3.ClH/c1-3-4-5-6-12-17-26-21-14-9-8-13-20(21)23-22(25)27-19(2)18-24-15-10-7-11-16-24;/h8-9,13-14,19H,3-7,10-12,15-18H2,1-2H3,(H,23,25);1H