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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)[C@@H]1CCC[NH+](C1)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H21NO4/c1-2-19-16(18)13-4-3-7-17(10-13)9-12-5-6-14-15(8-12)21-11-20-14/h5-6,8,13H,2-4,7,9-11H2,1H3/p+1/t13-/m1/s1