2,6-ditert-butyl-4-(4-oxidanidylpyrazin-4-ium-2-yl)imino-cyclohexa-2,5-dien-1-one

Systemtic Name: 2,6-ditert-butyl-4-(4-oxidanidylpyrazin-4-ium-2-yl)imino-cyclohexa-2,5-dien-1-one Openeye Name: 2,6-ditert-butyl-4-(4-oxidopyrazin-4-ium-2-yl)imino-cyclohexa-2,5-dien-1-one CAS Name: 2,6-ditert-butyl-4-[(4-oxido-2-pyrazin-4-iumyl)imino]-1-cyclohexa-2,5-dienone IUPAC Name: 2,6-ditert-butyl-4-(4-oxidopyrazin-4-ium-2-yl)iminocyclohexa-2,5-dien-1-one Traditional Name: 2,6-ditert-butyl-4-(4-oxidopyrazin-4-ium-2-yl)imino-cyclohexa-2,5-dien-1-one Formula: C18H23N3O2 MolecularWeight: 313.39412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NC2=NC=C[N+](=C2)[O-])C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=NC2=NC=C[N+](=C2)[O-])C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C18H23N3O2/c1-17(2,3)13-9-12(10-14(16(13)22)18(4,5)6)20-15-11-21(23)8-7-19-15/h7-11H,1-6H3