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

Systemtic Name: ethyl 4-[3-(1,3-benzodioxol-5-ylmethoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-carboxylate chloride Openeye Name: ethyl 4-[3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxy-propyl]piperazin-4-ium-1-carboxylate chloride CAS Name: 4-[3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]-1-piperazin-4-iumcarboxylic acid ethyl ester chloride IUPAC Name: ethyl 4-[3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]piperazin-4-ium-1-carboxylate chloride Traditional Name: 4-(2-hydroxy-3-piperonyloxy-propyl)piperazin-4-ium-1-carboxylic acid ethyl ester chloride Formula: C18H27ClN2O6 MolecularWeight: 402.86978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(COCC2=CC3=C(C=C2)OCO3)O.[Cl-]

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(COCC2=CC3=C(C=C2)OCO3)O.[Cl-]

InChI

InChI=1S/C18H26N2O6.ClH/c1-2-24-18(22)20-7-5-19(6-8-20)10-15(21)12-23-11-14-3-4-16-17(9-14)26-13-25-16;/h3-4,9,15,21H,2,5-8,10-13H2,1H3;1H