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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O3/c1-24-13-4-5-14(15(11-13)20-16(22)3-2-8-18)21-17(23)12-6-9-19-10-7-12/h4-7,9-11H,2-3,8,18H2,1H3,(H,20,22)(H,21,23)/p+1