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

Systemtic Name: 2-pyrrolidin-1-ium-1-ylethyl N-[3-(butoxymethyl)phenyl]carbamate chloride Openeye Name: 2-pyrrolidin-1-ium-1-ylethyl N-[3-(butoxymethyl)phenyl]carbamate chloride CAS Name: N-[3-(butoxymethyl)phenyl]carbamic acid 2-(1-pyrrolidin-1-iumyl)ethyl ester chloride IUPAC Name: 2-pyrrolidin-1-ium-1-ylethyl N-[3-(butoxymethyl)phenyl]carbamate chloride Traditional Name: N-[3-(butoxymethyl)phenyl]carbamic acid 2-pyrrolidin-1-ium-1-ylethyl ester chloride Formula: C18H29ClN2O3 MolecularWeight: 356.88746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC1=CC(=CC=C1)NC(=O)OCC[NH+]2CCCC2.[Cl-]

Isomeric SMILES

CCCCOCC1=CC(=CC=C1)NC(=O)OCC[NH+]2CCCC2.[Cl-]

InChI

InChI=1S/C18H28N2O3.ClH/c1-2-3-12-22-15-16-7-6-8-17(14-16)19-18(21)23-13-11-20-9-4-5-10-20;/h6-8,14H,2-5,9-13,15H2,1H3,(H,19,21);1H