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

Systemtic Name: 1-pyrrolidin-1-ium-1-ylpropan-2-yl N-(3-hexoxyphenyl)carbamate chloride Openeye Name: (1-methyl-2-pyrrolidin-1-ium-1-yl-ethyl) N-(3-hexoxyphenyl)carbamate chloride CAS Name: N-(3-hexoxyphenyl)carbamic acid 1-(1-pyrrolidin-1-iumyl)propan-2-yl ester chloride IUPAC Name: 1-pyrrolidin-1-ium-1-ylpropan-2-yl N-(3-hexoxyphenyl)carbamate chloride Traditional Name: N-(3-hexoxyphenyl)carbamic acid (1-methyl-2-pyrrolidin-1-ium-1-yl-ethyl) ester chloride Formula: C20H33ClN2O3 MolecularWeight: 384.94062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC(=C1)NC(=O)OC(C)C[NH+]2CCCC2.[Cl-]

Isomeric SMILES

CCCCCCOC1=CC=CC(=C1)NC(=O)OC(C)C[NH+]2CCCC2.[Cl-]

InChI

InChI=1S/C20H32N2O3.ClH/c1-3-4-5-8-14-24-19-11-9-10-18(15-19)21-20(23)25-17(2)16-22-12-6-7-13-22;/h9-11,15,17H,3-8,12-14,16H2,1-2H3,(H,21,23);1H