2-pyrrolidin-1-ium-1-ylethyl N-[3-(hexoxymethyl)phenyl]carbamate chloride

Systemtic Name: 2-pyrrolidin-1-ium-1-ylethyl N-[3-(hexoxymethyl)phenyl]carbamate chloride Openeye Name: 2-pyrrolidin-1-ium-1-ylethyl N-[3-(hexoxymethyl)phenyl]carbamate chloride CAS Name: N-[3-(hexoxymethyl)phenyl]carbamic acid 2-(1-pyrrolidin-1-iumyl)ethyl ester chloride IUPAC Name: 2-pyrrolidin-1-ium-1-ylethyl N-[3-(hexoxymethyl)phenyl]carbamate chloride Traditional Name: N-[3-(hexoxymethyl)phenyl]carbamic acid 2-pyrrolidin-1-ium-1-ylethyl ester chloride Formula: C20H33ClN2O3 MolecularWeight: 384.94062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOCC1=CC(=CC=C1)NC(=O)OCC[NH+]2CCCC2.[Cl-]

Isomeric SMILES

CCCCCCOCC1=CC(=CC=C1)NC(=O)OCC[NH+]2CCCC2.[Cl-]

InChI

InChI=1S/C20H32N2O3.ClH/c1-2-3-4-7-14-24-17-18-9-8-10-19(16-18)21-20(23)25-15-13-22-11-5-6-12-22;/h8-10,16H,2-7,11-15,17H2,1H3,(H,21,23);1H