pyridin-1-ium-3-yl 1,3-benzodioxole-5-carboxylate chloride

Systemtic Name: pyridin-1-ium-3-yl 1,3-benzodioxole-5-carboxylate chloride Openeye Name: pyridin-1-ium-3-yl 1,3-benzodioxole-5-carboxylate chloride CAS Name: 1,3-benzodioxole-5-carboxylic acid 3-pyridin-1-iumyl ester chloride IUPAC Name: pyridin-1-ium-3-yl 1,3-benzodioxole-5-carboxylate chloride Traditional Name: piperonylic acid pyridin-1-ium-3-yl ester chloride Formula: C13H10ClNO4 MolecularWeight: 279.6758

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)OC3=C[NH+]=CC=C3.[Cl-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)OC3=C[NH+]=CC=C3.[Cl-]

InChI

InChI=1S/C13H9NO4.ClH/c15-13(18-10-2-1-5-14-7-10)9-3-4-11-12(6-9)17-8-16-11;/h1-7H,8H2;1H