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

Systemtic Name: N-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propyl]-4-methyl-pyrazin-4-ium-2-carboxamide Openeye Name: N-[3-(1,3-dioxoisoindolin-2-yl)propyl]-4-methyl-pyrazin-4-ium-2-carboxamide CAS Name: N-[3-(1,3-dioxo-2-isoindolyl)propyl]-4-methyl-2-pyrazin-4-iumcarboxamide IUPAC Name: N-[3-(1,3-dioxoisoindol-2-yl)propyl]-4-methylpyrazin-4-ium-2-carboxamide Traditional Name: 4-methyl-N-(3-phthalimidopropyl)pyrazin-4-ium-2-carboxamide Formula: C17H17N4O3+ MolecularWeight: 325.34188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O3/c1-20-10-8-18-14(11-20)15(22)19-7-4-9-21-16(23)12-5-2-3-6-13(12)17(21)24/h2-3,5-6,8,10-11H,4,7,9H2,1H3/p+1