pyridin-1-ium-3-yl 3,4-dimethoxybenzoate chloride

Systemtic Name: pyridin-1-ium-3-yl 3,4-dimethoxybenzoate chloride Openeye Name: pyridin-1-ium-3-yl 3,4-dimethoxybenzoate chloride CAS Name: 3,4-dimethoxybenzoic acid 3-pyridin-1-iumyl ester chloride IUPAC Name: pyridin-1-ium-3-yl 3,4-dimethoxybenzoate chloride Traditional Name: 3,4-dimethoxybenzoic acid pyridin-1-ium-3-yl ester chloride Formula: C14H14ClNO4 MolecularWeight: 295.71826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC2=C[NH+]=CC=C2)OC.[Cl-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OC2=C[NH+]=CC=C2)OC.[Cl-]

InChI

InChI=1S/C14H13NO4.ClH/c1-17-12-6-5-10(8-13(12)18-2)14(16)19-11-4-3-7-15-9-11;/h3-9H,1-2H3;1H