1-methyl-3-(2-nitropropan-2-yl)pyrazin-1-ium

Systemtic Name: 1-methyl-3-(2-nitropropan-2-yl)pyrazin-1-ium Openeye Name: 1-methyl-3-(1-methyl-1-nitro-ethyl)pyrazin-1-ium CAS Name: 1-methyl-3-(2-nitropropan-2-yl)pyrazin-1-ium IUPAC Name: 1-methyl-3-(2-nitropropan-2-yl)pyrazin-1-ium Traditional Name: 1-methyl-3-(1-methyl-1-nitro-ethyl)pyrazin-1-ium Formula: C8H12N3O2+ MolecularWeight: 182.19978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H12N3O2/c1-8(2,11(12)13)7-6-10(3)5-4-9-7/h4-6H,1-3H3/q+1