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

Systemtic Name: 1,3-benzodioxol-5-yl-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3,5-dihydro-2H-pyrazin-1-ium-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3,5-dihydro-2H-pyrazin-1-ium-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3,5-dihydro-2H-pyrazin-1-ium-1-yl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3,5-dihydro-2H-pyrazin-1-ium-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3,5-dihydro-2H-pyrazin-1-ium-1-yl]methanone Formula: C21H21N2O5+ MolecularWeight: 381.40184

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=CCN1CC2COC3=CC=CC=C3O2)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[N+](=CCN1CC2COC3=CC=CC=C3O2)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H21N2O5/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/h1-6,9,11,16H,7-8,10,12-14H2/q+1