[4-oxidanylidene-4-[[2-(pyridin-3-ylcarbonylamino)phenyl]amino]butyl]azanium

Systemtic Name: [4-oxidanylidene-4-[[2-(pyridin-3-ylcarbonylamino)phenyl]amino]butyl]azanium Openeye Name: [4-oxo-4-[2-(pyridine-3-carbonylamino)anilino]butyl]ammonium CAS Name: [4-oxo-4-[2-[[oxo(3-pyridinyl)methyl]amino]anilino]butyl]ammonium IUPAC Name: [4-oxo-4-[2-(pyridine-3-carbonylamino)anilino]butyl]azanium Traditional Name: [4-keto-4-(2-nicotinamidoanilino)butyl]ammonium Formula: C16H19N4O2+ MolecularWeight: 299.34766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O2/c17-9-3-8-15(21)19-13-6-1-2-7-14(13)20-16(22)12-5-4-10-18-11-12/h1-2,4-7,10-11H,3,8-9,17H2,(H,19,21)(H,20,22)/p+1