1-pyrrolidin-1-ium-1-ylpropan-2-yl N-(4-butoxyphenyl)carbamate chloride

Systemtic Name: 1-pyrrolidin-1-ium-1-ylpropan-2-yl N-(4-butoxyphenyl)carbamate chloride Openeye Name: (1-methyl-2-pyrrolidin-1-ium-1-yl-ethyl) N-(4-butoxyphenyl)carbamate chloride CAS Name: N-(4-butoxyphenyl)carbamic acid 1-(1-pyrrolidin-1-iumyl)propan-2-yl ester chloride IUPAC Name: 1-pyrrolidin-1-ium-1-ylpropan-2-yl N-(4-butoxyphenyl)carbamate chloride Traditional Name: N-(4-butoxyphenyl)carbamic acid (1-methyl-2-pyrrolidin-1-ium-1-yl-ethyl) ester chloride Formula: C18H29ClN2O3 MolecularWeight: 356.88746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)OC(C)C[NH+]2CCCC2.[Cl-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)OC(C)C[NH+]2CCCC2.[Cl-]

InChI

InChI=1S/C18H28N2O3.ClH/c1-3-4-13-22-17-9-7-16(8-10-17)19-18(21)23-15(2)14-20-11-5-6-12-20;/h7-10,15H,3-6,11-14H2,1-2H3,(H,19,21);1H