[2-[[3-(butanoylamino)-4-chloranyl-phenyl]amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: [2-[[3-(butanoylamino)-4-chloranyl-phenyl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: [2-[3-(butanoylamino)-4-chloro-anilino]-2-oxo-ethyl]ammonium CAS Name: [2-[4-chloro-3-(1-oxobutylamino)anilino]-2-oxoethyl]ammonium IUPAC Name: [2-[3-(butanoylamino)-4-chloroanilino]-2-oxoethyl]azanium Traditional Name: [2-(3-butyramido-4-chloro-anilino)-2-keto-ethyl]ammonium Formula: C12H17ClN3O2+ MolecularWeight: 270.73528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16ClN3O2/c1-2-3-11(17)16-10-6-8(4-5-9(10)13)15-12(18)7-14/h4-6H,2-3,7,14H2,1H3,(H,15,18)(H,16,17)/p+1