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

Systemtic Name: [2-[[4-chloranyl-3-(pentanoylamino)phenyl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: [2-[4-chloro-3-(pentanoylamino)anilino]-2-oxo-ethyl]ammonium CAS Name: [2-[4-chloro-3-(1-oxopentylamino)anilino]-2-oxoethyl]ammonium IUPAC Name: [2-[4-chloro-3-(pentanoylamino)anilino]-2-oxoethyl]azanium Traditional Name: [2-[4-chloro-3-(valerylamino)anilino]-2-keto-ethyl]ammonium Formula: C13H19ClN3O2+ MolecularWeight: 284.76186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18ClN3O2/c1-2-3-4-12(18)17-11-7-9(5-6-10(11)14)16-13(19)8-15/h5-7H,2-4,8,15H2,1H3,(H,16,19)(H,17,18)/p+1