2-piperidin-1-ium-1-ylethyl N-(2-heptoxyphenyl)carbamate chloride

Systemtic Name: 2-piperidin-1-ium-1-ylethyl N-(2-heptoxyphenyl)carbamate chloride Openeye Name: 2-piperidin-1-ium-1-ylethyl N-(2-heptoxyphenyl)carbamate chloride CAS Name: N-(2-heptoxyphenyl)carbamic acid 2-(1-piperidin-1-iumyl)ethyl ester chloride IUPAC Name: 2-piperidin-1-ium-1-ylethyl N-(2-heptoxyphenyl)carbamate chloride Traditional Name: N-(2-heptoxyphenyl)carbamic acid 2-piperidin-1-ium-1-ylethyl ester chloride Formula: C21H35ClN2O3 MolecularWeight: 398.9672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=CC=C1NC(=O)OCC[NH+]2CCCCC2.[Cl-]

Isomeric SMILES

CCCCCCCOC1=CC=CC=C1NC(=O)OCC[NH+]2CCCCC2.[Cl-]

InChI

InChI=1S/C21H34N2O3.ClH/c1-2-3-4-5-11-17-25-20-13-8-7-12-19(20)22-21(24)26-18-16-23-14-9-6-10-15-23;/h7-8,12-13H,2-6,9-11,14-18H2,1H3,(H,22,24);1H