3-azanylidene-5-(2-methylbutan-2-yl)isoindol-1-amine ethanoate

Systemtic Name: 3-azanylidene-5-(2-methylbutan-2-yl)isoindol-1-amine ethanoate Openeye Name: 5-(1,1-dimethylpropyl)-3-imino-isoindol-1-amine acetate CAS Name: 3-imino-5-(2-methylbutan-2-yl)-1-isoindolamine acetate IUPAC Name: 3-imino-5-(2-methylbutan-2-yl)isoindol-1-amine acetate Traditional Name: (5-tert-amyl-3-imino-isoindol-1-yl)amine acetate Formula: C15H20N3O2- MolecularWeight: 274.3382

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC2=C(C=C1)C(=NC2=N)N.CC(=O)[O-]

Isomeric SMILES

CCC(C)(C)C1=CC2=C(C=C1)C(=NC2=N)N.CC(=O)[O-]

InChI

InChI=1S/C13H17N3.C2H4O2/c1-4-13(2,3)8-5-6-9-10(7-8)12(15)16-11(9)14;1-2(3)4/h5-7H,4H2,1-3H3,(H3,14,15,16);1H3,(H,3,4)/p-1