[5-methyl-3-(4-methylphenyl)-3,4-dihydropyrazol-2-ium-2-ylidene]methanediamine ethanoate

Systemtic Name: [5-methyl-3-(4-methylphenyl)-3,4-dihydropyrazol-2-ium-2-ylidene]methanediamine ethanoate Openeye Name: [5-methyl-3-(p-tolyl)-3,4-dihydropyrazol-2-ium-2-ylidene]methanediamine acetate CAS Name: [5-methyl-3-(4-methylphenyl)-3,4-dihydropyrazol-2-ium-2-ylidene]methanediamine acetate IUPAC Name: [5-methyl-3-(4-methylphenyl)-3,4-dihydropyrazol-2-ium-2-ylidene]methanediamine acetate Traditional Name: [amino-[3-methyl-5-(p-tolyl)-2-pyrazolin-1-ium-1-ylidene]methyl]amine acetate Formula: C14H20N4O2 MolecularWeight: 276.3342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4.C2H4O2/c1-8-3-5-10(6-4-8)11-7-9(2)15-16(11)12(13)14;1-2(3)4/h3-6,11H,7H2,1-2H3,(H3,13,14);1H3,(H,3,4)