1,3-benzodioxol-5-ylmethyl-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]-ethyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]-ethyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-(1,3-dioxoisoindolin-2-yl)ethyl]-ethyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-(1,3-dioxo-2-isoindolyl)ethyl]-ethylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]-ethylazanium Traditional Name: ethyl-(2-phthalimidoethyl)-piperonyl-ammonium Formula: C20H21N2O4+ MolecularWeight: 353.39174

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCN1C(=O)C2=CC=CC=C2C1=O)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC[NH+](CCN1C(=O)C2=CC=CC=C2C1=O)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H20N2O4/c1-2-21(12-14-7-8-17-18(11-14)26-13-25-17)9-10-22-19(23)15-5-3-4-6-16(15)20(22)24/h3-8,11H,2,9-10,12-13H2,1H3/p+1