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

Systemtic Name: N-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]-1-methyl-pyridin-1-ium-4-carboxamide Openeye Name: N-[2-(1,3-dioxoisoindolin-2-yl)ethyl]-1-methyl-pyridin-1-ium-4-carboxamide CAS Name: N-[2-(1,3-dioxo-2-isoindolyl)ethyl]-1-methyl-4-pyridin-1-iumcarboxamide IUPAC Name: N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1-methylpyridin-1-ium-4-carboxamide Traditional Name: 1-methyl-N-(2-phthalimidoethyl)pyridin-1-ium-4-carboxamide Formula: C17H16N3O3+ MolecularWeight: 310.32724

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C(=O)NCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C[N+]1=CC=C(C=C1)C(=O)NCCN2C(=O)C3=CC=CC=C3C2=O

InChI

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