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

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

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)NCC3=CC=[NH+]C=C3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)NCC3=CC=[NH+]C=C3

InChI

InChI=1S/C17H15N3O3/c21-15(19-11-12-5-8-18-9-6-12)7-10-20-16(22)13-3-1-2-4-14(13)17(20)23/h1-6,8-9H,7,10-11H2,(H,19,21)/p+1