2-piperidin-1-ium-1-ylethyl 1,3-benzodioxole-5-carboxylate

Systemtic Name: 2-piperidin-1-ium-1-ylethyl 1,3-benzodioxole-5-carboxylate Openeye Name: 2-piperidin-1-ium-1-ylethyl 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid 2-(1-piperidin-1-iumyl)ethyl ester IUPAC Name: 2-piperidin-1-ium-1-ylethyl 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid 2-piperidin-1-ium-1-ylethyl ester Formula: C15H20NO4+ MolecularWeight: 278.3236

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CC[NH+](CC1)CCOC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H19NO4/c17-15(18-9-8-16-6-2-1-3-7-16)12-4-5-13-14(10-12)20-11-19-13/h4-5,10H,1-3,6-9,11H2/p+1