1-piperidin-1-ium-1-ylpropan-2-yl 3,4-dimethoxybenzoate chloride

Systemtic Name: 1-piperidin-1-ium-1-ylpropan-2-yl 3,4-dimethoxybenzoate chloride Openeye Name: (1-methyl-2-piperidin-1-ium-1-yl-ethyl) 3,4-dimethoxybenzoate chloride CAS Name: 3,4-dimethoxybenzoic acid 1-(1-piperidin-1-iumyl)propan-2-yl ester chloride IUPAC Name: 1-piperidin-1-ium-1-ylpropan-2-yl 3,4-dimethoxybenzoate chloride Traditional Name: 3,4-dimethoxybenzoic acid (1-methyl-2-piperidin-1-ium-1-yl-ethyl) ester chloride Formula: C17H26ClNO4 MolecularWeight: 343.84564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO4.ClH/c1-13(12-18-9-5-4-6-10-18)22-17(19)14-7-8-15(20-2)16(11-14)21-3;/h7-8,11,13H,4-6,9-10,12H2,1-3H3;1H