dimethyl-[[2-[[3-(1-methylidene-3-oxidanylidene-isoindol-2-yl)propanoylamino]methyl]phenyl]methyl]azanium

Systemtic Name: dimethyl-[[2-[[3-(1-methylidene-3-oxidanylidene-isoindol-2-yl)propanoylamino]methyl]phenyl]methyl]azanium Openeye Name: dimethyl-[[2-[[3-(1-methylene-3-oxo-isoindolin-2-yl)propanoylamino]methyl]phenyl]methyl]ammonium CAS Name: dimethyl-[[2-[[[3-(1-methylene-3-oxo-2-isoindolyl)-1-oxopropyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: dimethyl-[[2-[[3-(1-methylidene-3-oxoisoindol-2-yl)propanoylamino]methyl]phenyl]methyl]azanium Traditional Name: [2-[[3-(1-keto-3-methylene-isoindolin-2-yl)propanoylamino]methyl]benzyl]-dimethyl-ammonium Formula: C22H26N3O2+ MolecularWeight: 364.46074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=CC=C1CNC(=O)CCN2C(=C)C3=CC=CC=C3C2=O

Isomeric SMILES

C[NH+](C)CC1=CC=CC=C1CNC(=O)CCN2C(=C)C3=CC=CC=C3C2=O

InChI

InChI=1S/C22H25N3O2/c1-16-19-10-6-7-11-20(19)22(27)25(16)13-12-21(26)23-14-17-8-4-5-9-18(17)15-24(2)3/h4-11H,1,12-15H2,2-3H3,(H,23,26)/p+1