3-(2-methylpiperidin-1-ium-1-yl)propyl 4-butan-2-yloxybenzoate chloride

Systemtic Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-butan-2-yloxybenzoate chloride Openeye Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-sec-butoxybenzoate chloride CAS Name: 4-butan-2-yloxybenzoic acid 3-(2-methyl-1-piperidin-1-iumyl)propyl ester chloride IUPAC Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-butan-2-yloxybenzoate chloride Traditional Name: 4-sec-butoxybenzoic 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:

CCC(C)OC1=CC=C(C=C1)C(=O)OCCC[NH+]2CCCCC2C.[Cl-]

Isomeric SMILES

CCC(C)OC1=CC=C(C=C1)C(=O)OCCC[NH+]2CCCCC2C.[Cl-]

InChI

InChI=1S/C20H31NO3.ClH/c1-4-17(3)24-19-11-9-18(10-12-19)20(22)23-15-7-14-21-13-6-5-8-16(21)2;/h9-12,16-17H,4-8,13-15H2,1-3H3;1H