[2-[[2-chloranyl-5-(3-methylbutanoylamino)phenyl]amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: [2-[[2-chloranyl-5-(3-methylbutanoylamino)phenyl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: [2-[2-chloro-5-(3-methylbutanoylamino)anilino]-2-oxo-ethyl]ammonium CAS Name: [2-[2-chloro-5-[(3-methyl-1-oxobutyl)amino]anilino]-2-oxoethyl]ammonium IUPAC Name: [2-[2-chloro-5-(3-methylbutanoylamino)anilino]-2-oxoethyl]azanium Traditional Name: [2-[2-chloro-5-(isovalerylamino)anilino]-2-keto-ethyl]ammonium Formula: C13H19ClN3O2+ MolecularWeight: 284.76186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C[NH3+]

Isomeric SMILES

CC(C)CC(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C[NH3+]

InChI

InChI=1S/C13H18ClN3O2/c1-8(2)5-12(18)16-9-3-4-10(14)11(6-9)17-13(19)7-15/h3-4,6,8H,5,7,15H2,1-2H3,(H,16,18)(H,17,19)/p+1