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

Systemtic Name: ethyl 4-[(2R)-3-(1,3-benzodioxol-5-yloxy)-2-oxidanyl-propyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(2R)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxy-propyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(2R)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxy-propyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H25N2O6+ MolecularWeight: 353.3902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(COC2=CC3=C(C=C2)OCO3)O

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)C[C@H](COC2=CC3=C(C=C2)OCO3)O

InChI

InChI=1S/C17H24N2O6/c1-2-22-17(21)19-7-5-18(6-8-19)10-13(20)11-23-14-3-4-15-16(9-14)25-12-24-15/h3-4,9,13,20H,2,5-8,10-12H2,1H3/p+1/t13-/m1/s1