(1-butylpiperidin-1-ium-4-yl) N-(3-pentoxyphenyl)carbamate chloride

Systemtic Name: (1-butylpiperidin-1-ium-4-yl) N-(3-pentoxyphenyl)carbamate chloride Openeye Name: (1-butylpiperidin-1-ium-4-yl) N-(3-pentoxyphenyl)carbamate chloride CAS Name: N-(3-pentoxyphenyl)carbamic acid (1-butyl-4-piperidin-1-iumyl) ester chloride IUPAC Name: (1-butylpiperidin-1-ium-4-yl) N-(3-pentoxyphenyl)carbamate chloride Traditional Name: N-(3-amoxyphenyl)carbamic acid (1-butylpiperidin-1-ium-4-yl) ester chloride Formula: C21H35ClN2O3 MolecularWeight: 398.9672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC(=C1)NC(=O)OC2CC[NH+](CC2)CCCC.[Cl-]

Isomeric SMILES

CCCCCOC1=CC=CC(=C1)NC(=O)OC2CC[NH+](CC2)CCCC.[Cl-]

InChI

InChI=1S/C21H34N2O3.ClH/c1-3-5-7-16-25-20-10-8-9-18(17-20)22-21(24)26-19-11-14-23(15-12-19)13-6-4-2;/h8-10,17,19H,3-7,11-16H2,1-2H3,(H,22,24);1H