1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-carboxylate CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-piperidin-1-iumcarboxylate IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-piperonylpiperidin-1-ium-4-carboxylate Formula: C14H17NO4 MolecularWeight: 263.28908

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)[O-])CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1C[NH+](CCC1C(=O)[O-])CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H17NO4/c16-14(17)11-3-5-15(6-4-11)8-10-1-2-12-13(7-10)19-9-18-12/h1-2,7,11H,3-6,8-9H2,(H,16,17)