(4-pyrrolidin-1-ium-1-ylcyclohexyl) N-(4-butoxyphenyl)carbamate chloride

Systemtic Name: (4-pyrrolidin-1-ium-1-ylcyclohexyl) N-(4-butoxyphenyl)carbamate chloride Openeye Name: (4-pyrrolidin-1-ium-1-ylcyclohexyl) N-(4-butoxyphenyl)carbamate chloride CAS Name: N-(4-butoxyphenyl)carbamic acid [4-(1-pyrrolidin-1-iumyl)cyclohexyl] ester chloride IUPAC Name: (4-pyrrolidin-1-ium-1-ylcyclohexyl) N-(4-butoxyphenyl)carbamate chloride Traditional Name: N-(4-butoxyphenyl)carbamic acid (4-pyrrolidin-1-ium-1-ylcyclohexyl) ester chloride Formula: C21H33ClN2O3 MolecularWeight: 396.95132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)OC2CCC(CC2)[NH+]3CCCC3.[Cl-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)OC2CCC(CC2)[NH+]3CCCC3.[Cl-]

InChI

InChI=1S/C21H32N2O3.ClH/c1-2-3-16-25-19-10-6-17(7-11-19)22-21(24)26-20-12-8-18(9-13-20)23-14-4-5-15-23;/h6-7,10-11,18,20H,2-5,8-9,12-16H2,1H3,(H,22,24);1H