2-[4,4-diethanoyl-3,6-bis(oxidanylidene)piperazin-4-ium-2-yl]ethanenitrile

Systemtic Name: 2-[4,4-diethanoyl-3,6-bis(oxidanylidene)piperazin-4-ium-2-yl]ethanenitrile Openeye Name: 2-(4,4-diacetyl-3,6-dioxo-piperazin-4-ium-2-yl)acetonitrile CAS Name: 2-(4,4-diacetyl-3,6-dioxo-2-piperazin-4-iumyl)acetonitrile IUPAC Name: 2-(4,4-diacetyl-3,6-dioxopiperazin-4-ium-2-yl)acetonitrile Traditional Name: 2-(4,4-diacetyl-3,6-diketo-piperazin-4-ium-2-yl)acetonitrile Formula: C10H12N3O4+ MolecularWeight: 238.21998

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[N+]1(CC(=O)NC(C1=O)CC#N)C(=O)C

Isomeric SMILES

CC(=O)[N+]1(CC(=O)NC(C1=O)CC#N)C(=O)C

InChI

InChI=1S/C10H11N3O4/c1-6(14)13(7(2)15)5-9(16)12-8(3-4-11)10(13)17/h8H,3,5H2,1-2H3/p+1