[1,3-bis(oxidanylidene)isoindol-2-yl]methyl-(2-cyanoethyl)-(pyridin-3-ylmethyl)azanium

Systemtic Name: [1,3-bis(oxidanylidene)isoindol-2-yl]methyl-(2-cyanoethyl)-(pyridin-3-ylmethyl)azanium Openeye Name: 2-cyanoethyl-[(1,3-dioxoisoindolin-2-yl)methyl]-(3-pyridylmethyl)ammonium CAS Name: 2-cyanoethyl-[(1,3-dioxo-2-isoindolyl)methyl]-(3-pyridinylmethyl)ammonium IUPAC Name: 2-cyanoethyl-[(1,3-dioxoisoindol-2-yl)methyl]-(pyridin-3-ylmethyl)azanium Traditional Name: 2-cyanoethyl-(phthalimidomethyl)-(3-pyridylmethyl)ammonium Formula: C18H17N4O2+ MolecularWeight: 321.35318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)C[NH+](CCC#N)CC3=CN=CC=C3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C[NH+](CCC#N)CC3=CN=CC=C3

InChI

InChI=1S/C18H16N4O2/c19-8-4-10-21(12-14-5-3-9-20-11-14)13-22-17(23)15-6-1-2-7-16(15)18(22)24/h1-3,5-7,9,11H,4,10,12-13H2/p+1