[2-[[2-methyl-5-(2-methylpropanoylamino)phenyl]amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: [2-[[2-methyl-5-(2-methylpropanoylamino)phenyl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: [2-[2-methyl-5-(2-methylpropanoylamino)anilino]-2-oxo-ethyl]ammonium CAS Name: [2-[2-methyl-5-[(2-methyl-1-oxopropyl)amino]anilino]-2-oxoethyl]ammonium IUPAC Name: [2-[2-methyl-5-(2-methylpropanoylamino)anilino]-2-oxoethyl]azanium Traditional Name: [2-[5-(isobutyrylamino)-2-methyl-anilino]-2-keto-ethyl]ammonium Formula: C13H20N3O2+ MolecularWeight: 250.3168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)C)NC(=O)C[NH3+]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)C)NC(=O)C[NH3+]

InChI

InChI=1S/C13H19N3O2/c1-8(2)13(18)15-10-5-4-9(3)11(6-10)16-12(17)7-14/h4-6,8H,7,14H2,1-3H3,(H,15,18)(H,16,17)/p+1