1,3-benzodioxol-5-ylmethyl-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl]-methyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[4-(1,3-dioxoisoindolin-2-yl)butyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[4-(1,3-dioxo-2-isoindolyl)butyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[4-(1,3-dioxoisoindol-2-yl)butyl]-methylazanium Traditional Name: methyl-(4-phthalimidobutyl)-piperonyl-ammonium Formula: C21H23N2O4+ MolecularWeight: 367.41832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCCN1C(=O)C2=CC=CC=C2C1=O)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[NH+](CCCCN1C(=O)C2=CC=CC=C2C1=O)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N2O4/c1-22(13-15-8-9-18-19(12-15)27-14-26-18)10-4-5-11-23-20(24)16-6-2-3-7-17(16)21(23)25/h2-3,6-9,12H,4-5,10-11,13-14H2,1H3/p+1