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

Systemtic Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-(2-methylpropoxy)benzoate chloride Openeye Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-isobutoxybenzoate chloride CAS Name: 4-(2-methylpropoxy)benzoic acid 3-(2-methyl-1-piperidin-1-iumyl)propyl ester chloride IUPAC Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-(2-methylpropoxy)benzoate chloride Traditional Name: 4-isobutoxybenzoic acid 3-(2-methylpiperidin-1-ium-1-yl)propyl ester chloride Formula: C20H32ClNO3 MolecularWeight: 369.92598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31NO3.ClH/c1-16(2)15-24-19-10-8-18(9-11-19)20(22)23-14-6-13-21-12-5-4-7-17(21)3;/h8-11,16-17H,4-7,12-15H2,1-3H3;1H