3-(2,6-dimethylpiperidin-1-ium-1-yl)propyl 4-butoxybenzoate chloride

Systemtic Name: 3-(2,6-dimethylpiperidin-1-ium-1-yl)propyl 4-butoxybenzoate chloride Openeye Name: 3-(2,6-dimethylpiperidin-1-ium-1-yl)propyl 4-butoxybenzoate chloride CAS Name: 4-butoxybenzoic acid 3-(2,6-dimethyl-1-piperidin-1-iumyl)propyl ester chloride IUPAC Name: 3-(2,6-dimethylpiperidin-1-ium-1-yl)propyl 4-butoxybenzoate chloride Traditional Name: 4-butoxybenzoic acid 3-(2,6-dimethylpiperidin-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)C(=O)OCCC[NH+]2C(CCCC2C)C.[Cl-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OCCC[NH+]2C(CCCC2C)C.[Cl-]

InChI

InChI=1S/C21H33NO3.ClH/c1-4-5-15-24-20-12-10-19(11-13-20)21(23)25-16-7-14-22-17(2)8-6-9-18(22)3;/h10-13,17-18H,4-9,14-16H2,1-3H3;1H