3-(2-methylpiperidin-1-ium-1-yl)propyl 2-(4-butoxyphenyl)ethanoate chloride

Systemtic Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 2-(4-butoxyphenyl)ethanoate chloride Openeye Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 2-(4-butoxyphenyl)acetate chloride CAS Name: 2-(4-butoxyphenyl)acetic acid 3-(2-methyl-1-piperidin-1-iumyl)propyl ester chloride IUPAC Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 2-(4-butoxyphenyl)acetate chloride Traditional Name: 2-(4-butoxyphenyl)acetic acid 3-(2-methylpiperidin-1-ium-1-yl)propyl ester chloride Formula: C21H34ClNO3 MolecularWeight: 383.95256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CC(=O)OCCC[NH+]2CCCCC2C.[Cl-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CC(=O)OCCC[NH+]2CCCCC2C.[Cl-]

InChI

InChI=1S/C21H33NO3.ClH/c1-3-4-15-24-20-11-9-19(10-12-20)17-21(23)25-16-7-14-22-13-6-5-8-18(22)2;/h9-12,18H,3-8,13-17H2,1-2H3;1H