1-piperidin-1-ium-1-ylpropan-2-yl 1,3-benzodioxole-5-carboxylate chloride

Systemtic Name: 1-piperidin-1-ium-1-ylpropan-2-yl 1,3-benzodioxole-5-carboxylate chloride Openeye Name: (1-methyl-2-piperidin-1-ium-1-yl-ethyl) 1,3-benzodioxole-5-carboxylate chloride CAS Name: 1,3-benzodioxole-5-carboxylic acid 1-(1-piperidin-1-iumyl)propan-2-yl ester chloride IUPAC Name: 1-piperidin-1-ium-1-ylpropan-2-yl 1,3-benzodioxole-5-carboxylate chloride Traditional Name: piperonylic acid (1-methyl-2-piperidin-1-ium-1-yl-ethyl) ester chloride Formula: C16H22ClNO4 MolecularWeight: 327.80318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCCCC1)OC(=O)C2=CC3=C(C=C2)OCO3.[Cl-]

Isomeric SMILES

CC(C[NH+]1CCCCC1)OC(=O)C2=CC3=C(C=C2)OCO3.[Cl-]

InChI

InChI=1S/C16H21NO4.ClH/c1-12(10-17-7-3-2-4-8-17)21-16(18)13-5-6-14-15(9-13)20-11-19-14;/h5-6,9,12H,2-4,7-8,10-11H2,1H3;1H