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

Systemtic Name: 3-(2,6-dimethylpiperidin-1-ium-1-yl)propyl 4-hexoxybenzoate chloride Openeye Name: 3-(2,6-dimethylpiperidin-1-ium-1-yl)propyl 4-hexoxybenzoate chloride CAS Name: 4-hexoxybenzoic acid 3-(2,6-dimethyl-1-piperidin-1-iumyl)propyl ester chloride IUPAC Name: 3-(2,6-dimethylpiperidin-1-ium-1-yl)propyl 4-hexoxybenzoate chloride Traditional Name: 4-hexoxybenzoic acid 3-(2,6-dimethylpiperidin-1-ium-1-yl)propyl ester chloride Formula: C23H38ClNO3 MolecularWeight: 412.00572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)OCCC[NH+]2C(CCCC2C)C.[Cl-]

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)OCCC[NH+]2C(CCCC2C)C.[Cl-]

InChI

InChI=1S/C23H37NO3.ClH/c1-4-5-6-7-17-26-22-14-12-21(13-15-22)23(25)27-18-9-16-24-19(2)10-8-11-20(24)3;/h12-15,19-20H,4-11,16-18H2,1-3H3;1H