N-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propyl]-1-methyl-pyridin-1-ium-4-carboxamide

Systemtic Name: N-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propyl]-1-methyl-pyridin-1-ium-4-carboxamide Openeye Name: N-[3-(1,3-dioxoisoindolin-2-yl)propyl]-1-methyl-pyridin-1-ium-4-carboxamide CAS Name: N-[3-(1,3-dioxo-2-isoindolyl)propyl]-1-methyl-4-pyridin-1-iumcarboxamide IUPAC Name: N-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methylpyridin-1-ium-4-carboxamide Traditional Name: 1-methyl-N-(3-phthalimidopropyl)pyridin-1-ium-4-carboxamide Formula: C18H18N3O3+ MolecularWeight: 324.35382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C(=O)NCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C[N+]1=CC=C(C=C1)C(=O)NCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C18H17N3O3/c1-20-11-7-13(8-12-20)16(22)19-9-4-10-21-17(23)14-5-2-3-6-15(14)18(21)24/h2-3,5-8,11-12H,4,9-10H2,1H3/p+1