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

Systemtic Name: ethyl 1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-carboxylate CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-piperonylpiperidin-1-ium-4-carboxylic acid ethyl ester Formula: C16H22NO4+ MolecularWeight: 292.35018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H21NO4/c1-2-19-16(18)13-5-7-17(8-6-13)10-12-3-4-14-15(9-12)21-11-20-14/h3-4,9,13H,2,5-8,10-11H2,1H3/p+1