1-piperidin-1-ium-1-ylpropan-2-yl N-ethyl-N-(3-pentoxyphenyl)carbamate chloride

Systemtic Name: 1-piperidin-1-ium-1-ylpropan-2-yl N-ethyl-N-(3-pentoxyphenyl)carbamate chloride Openeye Name: (1-methyl-2-piperidin-1-ium-1-yl-ethyl) N-ethyl-N-(3-pentoxyphenyl)carbamate chloride CAS Name: N-ethyl-N-(3-pentoxyphenyl)carbamic acid 1-(1-piperidin-1-iumyl)propan-2-yl ester chloride IUPAC Name: 1-piperidin-1-ium-1-ylpropan-2-yl N-ethyl-N-(3-pentoxyphenyl)carbamate chloride Traditional Name: N-(3-amoxyphenyl)-N-ethyl-carbamic acid (1-methyl-2-piperidin-1-ium-1-yl-ethyl) ester chloride Formula: C22H37ClN2O3 MolecularWeight: 412.99378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC(=C1)N(CC)C(=O)OC(C)C[NH+]2CCCCC2.[Cl-]

Isomeric SMILES

CCCCCOC1=CC=CC(=C1)N(CC)C(=O)OC(C)C[NH+]2CCCCC2.[Cl-]

InChI

InChI=1S/C22H36N2O3.ClH/c1-4-6-10-16-26-21-13-11-12-20(17-21)24(5-2)22(25)27-19(3)18-23-14-8-7-9-15-23;/h11-13,17,19H,4-10,14-16,18H2,1-3H3;1H