1-piperidin-1-ium-1-ylpropan-2-yl 3,4,5-trimethoxybenzoate chloride

Systemtic Name: 1-piperidin-1-ium-1-ylpropan-2-yl 3,4,5-trimethoxybenzoate chloride Openeye Name: (1-methyl-2-piperidin-1-ium-1-yl-ethyl) 3,4,5-trimethoxybenzoate chloride CAS Name: 3,4,5-trimethoxybenzoic acid 1-(1-piperidin-1-iumyl)propan-2-yl ester chloride IUPAC Name: 1-piperidin-1-ium-1-ylpropan-2-yl 3,4,5-trimethoxybenzoate chloride Traditional Name: 3,4,5-trimethoxybenzoic acid (1-methyl-2-piperidin-1-ium-1-yl-ethyl) ester chloride Formula: C18H28ClNO5 MolecularWeight: 373.87162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCCCC1)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC.[Cl-]

Isomeric SMILES

CC(C[NH+]1CCCCC1)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC.[Cl-]

InChI

InChI=1S/C18H27NO5.ClH/c1-13(12-19-8-6-5-7-9-19)24-18(20)14-10-15(21-2)17(23-4)16(11-14)22-3;/h10-11,13H,5-9,12H2,1-4H3;1H