ethyl (3S)-1-(1,3-benzodioxol-4-ylmethyl)-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-(1,3-benzodioxol-4-ylmethyl)-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-(1,3-benzodioxol-4-ylmethyl)-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-(1,3-benzodioxol-4-ylmethyl)-3-(2-methoxyethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(1,3-benzodioxol-4-ylmethyl)-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-(1,3-benzodioxol-4-ylmethyl)-3-(2-methoxyethyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C19H28NO5+ MolecularWeight: 350.42932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)CC2=C3C(=CC=C2)OCO3)CCOC

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)CC2=C3C(=CC=C2)OCO3)CCOC

InChI

InChI=1S/C19H27NO5/c1-3-23-18(21)19(9-11-22-2)8-5-10-20(13-19)12-15-6-4-7-16-17(15)25-14-24-16/h4,6-7H,3,5,8-14H2,1-2H3/p+1/t19-/m0/s1