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

Systemtic Name: ethyl 4-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-carboxylate chloride Openeye Name: ethyl 4-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-2-hydroxy-propyl]piperazin-4-ium-1-carboxylate chloride CAS Name: 4-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-2-hydroxypropyl]-1-piperazin-4-iumcarboxylic acid ethyl ester chloride IUPAC Name: ethyl 4-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-2-hydroxypropyl]piperazin-4-ium-1-carboxylate chloride Traditional Name: 4-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-2-hydroxy-propyl]piperazin-4-ium-1-carboxylic acid ethyl ester chloride Formula: C19H29ClN2O6 MolecularWeight: 416.89636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(COCC2COC3=CC=CC=C3O2)O.[Cl-]

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(COCC2COC3=CC=CC=C3O2)O.[Cl-]

InChI

InChI=1S/C19H28N2O6.ClH/c1-2-25-19(23)21-9-7-20(8-10-21)11-15(22)12-24-13-16-14-26-17-5-3-4-6-18(17)27-16;/h3-6,15-16,22H,2,7-14H2,1H3;1H