[azanyl-(3-methylbutanoylamino)methylidene]-(1,3-benzoxazol-2-yl)azanium

Systemtic Name: [azanyl-(3-methylbutanoylamino)methylidene]-(1,3-benzoxazol-2-yl)azanium Openeye Name: [amino-(3-methylbutanoylamino)methylene]-(1,3-benzoxazol-2-yl)ammonium CAS Name: [amino-[(3-methyl-1-oxobutyl)amino]methylidene]-(1,3-benzoxazol-2-yl)ammonium IUPAC Name: [amino-(3-methylbutanoylamino)methylidene]-(1,3-benzoxazol-2-yl)azanium Traditional Name: [amino-(isovalerylamino)methylene]-(1,3-benzoxazol-2-yl)ammonium Formula: C13H17N4O2+ MolecularWeight: 261.29968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=[NH+]C1=NC2=CC=CC=C2O1)N

Isomeric SMILES

CC(C)CC(=O)NC(=[NH+]C1=NC2=CC=CC=C2O1)N

InChI

InChI=1S/C13H16N4O2/c1-8(2)7-11(18)16-12(14)17-13-15-9-5-3-4-6-10(9)19-13/h3-6,8H,7H2,1-2H3,(H3,14,15,16,17,18)/p+1