1,3-benzodioxol-5-yl-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-ium-1-yl]methanone chloride

Systemtic Name: 1,3-benzodioxol-5-yl-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-ium-1-yl]methanone chloride Openeye Name: 1,3-benzodioxol-5-yl-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-ium-1-yl]methanone chloride CAS Name: 1,3-benzodioxol-5-yl-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-piperazin-1-iumyl]methanone chloride IUPAC Name: 1,3-benzodioxol-5-yl-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-ium-1-yl]methanone chloride Traditional Name: 1,3-benzodioxol-5-yl-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-ium-1-yl]methanone chloride Formula: C21H23ClN2O5 MolecularWeight: 418.87072

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(=O)C2=CC3=C(C=C2)OCO3)CC4COC5=CC=CC=C5O4.[Cl-]

Isomeric SMILES

C1CN(CC[NH+]1C(=O)C2=CC3=C(C=C2)OCO3)CC4COC5=CC=CC=C5O4.[Cl-]

InChI

InChI=1S/C21H22N2O5.ClH/c24-21(15-5-6-18-20(11-15)27-14-26-18)23-9-7-22(8-10-23)12-16-13-25-17-3-1-2-4-19(17)28-16;/h1-6,11,16H,7-10,12-14H2;1H