[4-[[2-chloranyl-5-(pyridin-4-ylcarbonylamino)phenyl]amino]-4-oxidanylidene-butyl]azanium

Systemtic Name: [4-[[2-chloranyl-5-(pyridin-4-ylcarbonylamino)phenyl]amino]-4-oxidanylidene-butyl]azanium Openeye Name: [4-[2-chloro-5-(pyridine-4-carbonylamino)anilino]-4-oxo-butyl]ammonium CAS Name: [4-[2-chloro-5-[[oxo(pyridin-4-yl)methyl]amino]anilino]-4-oxobutyl]ammonium IUPAC Name: [4-[2-chloro-5-(pyridine-4-carbonylamino)anilino]-4-oxobutyl]azanium Traditional Name: [4-(2-chloro-5-isonicotinamido-anilino)-4-keto-butyl]ammonium Formula: C16H18ClN4O2+ MolecularWeight: 333.79272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)C2=CC=NC=C2)NC(=O)CCC[NH3+])Cl

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)C2=CC=NC=C2)NC(=O)CCC[NH3+])Cl

InChI

InChI=1S/C16H17ClN4O2/c17-13-4-3-12(10-14(13)21-15(22)2-1-7-18)20-16(23)11-5-8-19-9-6-11/h3-6,8-10H,1-2,7,18H2,(H,20,23)(H,21,22)/p+1