ethyl 1-[(2R)-3-(1,3-benzodioxol-5-ylmethoxy)-2-oxidanyl-propyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(2R)-3-(1,3-benzodioxol-5-ylmethoxy)-2-oxidanyl-propyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(2R)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxy-propyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2R)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2R)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(2R)-2-hydroxy-3-piperonyloxy-propyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C19H28NO6+ MolecularWeight: 366.42872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(COCC2=CC3=C(C=C2)OCO3)O

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)C[C@H](COCC2=CC3=C(C=C2)OCO3)O

InChI

InChI=1S/C19H27NO6/c1-2-24-19(22)15-5-7-20(8-6-15)10-16(21)12-23-11-14-3-4-17-18(9-14)26-13-25-17/h3-4,9,15-16,21H,2,5-8,10-13H2,1H3/p+1/t16-/m1/s1