2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(pyridin-1-ium-4-ylmethyl)propanamide

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(pyridin-1-ium-4-ylmethyl)propanamide Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)-N-(pyridin-1-ium-4-ylmethyl)propanamide CAS Name: 2-(1,3-dioxo-2-isoindolyl)-N-(4-pyridin-1-iumylmethyl)propanamide IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-1-ium-4-ylmethyl)propanamide Traditional Name: 2-phthalimido-N-(pyridin-1-ium-4-ylmethyl)propionamide Formula: C17H16N3O3+ MolecularWeight: 310.32724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=[NH+]C=C1)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(C(=O)NCC1=CC=[NH+]C=C1)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C17H15N3O3/c1-11(15(21)19-10-12-6-8-18-9-7-12)20-16(22)13-4-2-3-5-14(13)17(20)23/h2-9,11H,10H2,1H3,(H,19,21)/p+1