(5-methyl-3-phenyl-3,4-dihydropyrazol-2-ium-2-ylidene)methanediamine ethanoate

Systemtic Name: (5-methyl-3-phenyl-3,4-dihydropyrazol-2-ium-2-ylidene)methanediamine ethanoate Openeye Name: (5-methyl-3-phenyl-3,4-dihydropyrazol-2-ium-2-ylidene)methanediamine acetate CAS Name: (5-methyl-3-phenyl-3,4-dihydropyrazol-2-ium-2-ylidene)methanediamine acetate IUPAC Name: (5-methyl-3-phenyl-3,4-dihydropyrazol-2-ium-2-ylidene)methanediamine acetate Traditional Name: [amino-(3-methyl-5-phenyl-2-pyrazolin-1-ium-1-ylidene)methyl]amine acetate Formula: C13H18N4O2 MolecularWeight: 262.30762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=N[N+](=C(N)N)C(C1)C2=CC=CC=C2.CC(=O)[O-]

Isomeric SMILES

CC1=N[N+](=C(N)N)C(C1)C2=CC=CC=C2.CC(=O)[O-]

InChI

InChI=1S/C11H14N4.C2H4O2/c1-8-7-10(15(14-8)11(12)13)9-5-3-2-4-6-9;1-2(3)4/h2-6,10H,7H2,1H3,(H3,12,13);1H3,(H,3,4)