(1-butylpiperidin-1-ium-4-yl) N-(2-heptoxyphenyl)carbamate chloride

Systemtic Name: (1-butylpiperidin-1-ium-4-yl) N-(2-heptoxyphenyl)carbamate chloride Openeye Name: (1-butylpiperidin-1-ium-4-yl) N-(2-heptoxyphenyl)carbamate chloride CAS Name: N-(2-heptoxyphenyl)carbamic acid (1-butyl-4-piperidin-1-iumyl) ester chloride IUPAC Name: (1-butylpiperidin-1-ium-4-yl) N-(2-heptoxyphenyl)carbamate chloride Traditional Name: N-(2-heptoxyphenyl)carbamic acid (1-butylpiperidin-1-ium-4-yl) ester chloride Formula: C23H39ClN2O3 MolecularWeight: 427.02036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=CC=C1NC(=O)OC2CC[NH+](CC2)CCCC.[Cl-]

Isomeric SMILES

CCCCCCCOC1=CC=CC=C1NC(=O)OC2CC[NH+](CC2)CCCC.[Cl-]

InChI

InChI=1S/C23H38N2O3.ClH/c1-3-5-7-8-11-19-27-22-13-10-9-12-21(22)24-23(26)28-20-14-17-25(18-15-20)16-6-4-2;/h9-10,12-13,20H,3-8,11,14-19H2,1-2H3,(H,24,26);1H