N,N,1-trimethyl-3-nitro-pyridin-1-ium-4-amine

Systemtic Name: N,N,1-trimethyl-3-nitro-pyridin-1-ium-4-amine Openeye Name: N,N,1-trimethyl-3-nitro-pyridin-1-ium-4-amine CAS Name: N,N,1-trimethyl-3-nitro-4-pyridin-1-iumamine IUPAC Name: N,N,1-trimethyl-3-nitropyridin-1-ium-4-amine Traditional Name: dimethyl-(1-methyl-3-nitro-pyridin-1-ium-4-yl)amine Formula: C8H12N3O2+ MolecularWeight: 182.19978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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