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

Systemtic Name: (1-butylpiperidin-1-ium-4-yl) N-(3-hexoxyphenyl)carbamate chloride Openeye Name: (1-butylpiperidin-1-ium-4-yl) N-(3-hexoxyphenyl)carbamate chloride CAS Name: N-(3-hexoxyphenyl)carbamic acid (1-butyl-4-piperidin-1-iumyl) ester chloride IUPAC Name: (1-butylpiperidin-1-ium-4-yl) N-(3-hexoxyphenyl)carbamate chloride Traditional Name: N-(3-hexoxyphenyl)carbamic acid (1-butylpiperidin-1-ium-4-yl) ester chloride Formula: C22H37ClN2O3 MolecularWeight: 412.99378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC(=C1)NC(=O)OC2CC[NH+](CC2)CCCC.[Cl-]

Isomeric SMILES

CCCCCCOC1=CC=CC(=C1)NC(=O)OC2CC[NH+](CC2)CCCC.[Cl-]

InChI

InChI=1S/C22H36N2O3.ClH/c1-3-5-7-8-17-26-21-11-9-10-19(18-21)23-22(25)27-20-12-15-24(16-13-20)14-6-4-2;/h9-11,18,20H,3-8,12-17H2,1-2H3,(H,23,25);1H