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

Systemtic Name: N-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]-4-methyl-pyrazin-4-ium-2-carboxamide Openeye Name: N-[2-(1,3-dioxoisoindolin-2-yl)ethyl]-4-methyl-pyrazin-4-ium-2-carboxamide CAS Name: N-[2-(1,3-dioxo-2-isoindolyl)ethyl]-4-methyl-2-pyrazin-4-iumcarboxamide IUPAC Name: N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-methylpyrazin-4-ium-2-carboxamide Traditional Name: 4-methyl-N-(2-phthalimidoethyl)pyrazin-4-ium-2-carboxamide Formula: C16H15N4O3+ MolecularWeight: 311.3153

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O3/c1-19-8-6-17-13(10-19)14(21)18-7-9-20-15(22)11-4-2-3-5-12(11)16(20)23/h2-6,8,10H,7,9H2,1H3/p+1