2-methylimidazol-1-ium-1,3-diamine ethanoate

Systemtic Name: 2-methylimidazol-1-ium-1,3-diamine ethanoate Openeye Name: 2-methylimidazol-1-ium-1,3-diamine acetate CAS Name: 2-methylimidazol-1-ium-1,3-diamine acetate IUPAC Name: 2-methylimidazol-1-ium-1,3-diamine acetate Traditional Name: (3-amino-2-methyl-imidazol-1-ium-1-yl)amine acetate Formula: C6H12N4O2 MolecularWeight: 172.18508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CN1N)N.CC(=O)[O-]

Isomeric SMILES

CC1=[N+](C=CN1N)N.CC(=O)[O-]

InChI

InChI=1S/C4H9N4.C2H4O2/c1-4-7(5)2-3-8(4)6;1-2(3)4/h2-3H,5-6H2,1H3;1H3,(H,3,4)/q+1;/p-1