[4-[[4-chloranyl-3-(pyridin-4-ylcarbonylamino)phenyl]amino]-4-oxidanylidene-butyl]azanium

Systemtic Name: [4-[[4-chloranyl-3-(pyridin-4-ylcarbonylamino)phenyl]amino]-4-oxidanylidene-butyl]azanium Openeye Name: [4-[4-chloro-3-(pyridine-4-carbonylamino)anilino]-4-oxo-butyl]ammonium CAS Name: [4-[4-chloro-3-[[oxo(pyridin-4-yl)methyl]amino]anilino]-4-oxobutyl]ammonium IUPAC Name: [4-[4-chloro-3-(pyridine-4-carbonylamino)anilino]-4-oxobutyl]azanium Traditional Name: [4-(4-chloro-3-isonicotinamido-anilino)-4-keto-butyl]ammonium Formula: C16H18ClN4O2+ MolecularWeight: 333.79272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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