3-(2-methylpiperidin-1-ium-1-yl)propyl 4-(3-methylbutoxy)benzoate chloride

Systemtic Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-(3-methylbutoxy)benzoate chloride Openeye Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-isopentyloxybenzoate chloride CAS Name: 4-(3-methylbutoxy)benzoic acid 3-(2-methyl-1-piperidin-1-iumyl)propyl ester chloride IUPAC Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-(3-methylbutoxy)benzoate chloride Traditional Name: 4-isoamoxybenzoic 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:

CC1CCCC[NH+]1CCCOC(=O)C2=CC=C(C=C2)OCCC(C)C.[Cl-]

Isomeric SMILES

CC1CCCC[NH+]1CCCOC(=O)C2=CC=C(C=C2)OCCC(C)C.[Cl-]

InChI

InChI=1S/C21H33NO3.ClH/c1-17(2)12-16-24-20-10-8-19(9-11-20)21(23)25-15-6-14-22-13-5-4-7-18(22)3;/h8-11,17-18H,4-7,12-16H2,1-3H3;1H