[4-[[2-methoxy-5-(pyridin-3-ylcarbonylamino)phenyl]amino]-4-oxidanylidene-butyl]azanium

Systemtic Name: [4-[[2-methoxy-5-(pyridin-3-ylcarbonylamino)phenyl]amino]-4-oxidanylidene-butyl]azanium Openeye Name: [4-[2-methoxy-5-(pyridine-3-carbonylamino)anilino]-4-oxo-butyl]ammonium CAS Name: [4-[2-methoxy-5-[[oxo(3-pyridinyl)methyl]amino]anilino]-4-oxobutyl]ammonium IUPAC Name: [4-[2-methoxy-5-(pyridine-3-carbonylamino)anilino]-4-oxobutyl]azanium Traditional Name: [4-keto-4-(2-methoxy-5-nicotinamido-anilino)butyl]ammonium Formula: C17H21N4O3+ MolecularWeight: 329.37364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CN=CC=C2)NC(=O)CCC[NH3+]

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CN=CC=C2)NC(=O)CCC[NH3+]

InChI

InChI=1S/C17H20N4O3/c1-24-15-7-6-13(10-14(15)21-16(22)5-2-8-18)20-17(23)12-4-3-9-19-11-12/h3-4,6-7,9-11H,2,5,8,18H2,1H3,(H,20,23)(H,21,22)/p+1