N-(2-methylpropyl)-1-[3-[1-oxidanidyl-6-(2-oxidanylpropan-2-yl)pyridin-1-ium-3-yl]phenyl]-4-oxidanylidene-1,8-naphthyridine-3-carboxamide

Systemtic Name: N-(2-methylpropyl)-1-[3-[1-oxidanidyl-6-(2-oxidanylpropan-2-yl)pyridin-1-ium-3-yl]phenyl]-4-oxidanylidene-1,8-naphthyridine-3-carboxamide Openeye Name: 1-[3-[6-(1-hydroxy-1-methyl-ethyl)-1-oxido-pyridin-1-ium-3-yl]phenyl]-N-isobutyl-4-oxo-1,8-naphthyridine-3-carboxamide CAS Name: 1-[3-[6-(2-hydroxypropan-2-yl)-1-oxido-3-pyridin-1-iumyl]phenyl]-N-(2-methylpropyl)-4-oxo-1,8-naphthyridine-3-carboxamide IUPAC Name: 1-[3-[6-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-3-yl]phenyl]-N-(2-methylpropyl)-4-oxo-1,8-naphthyridine-3-carboxamide Traditional Name: 1-[3-[6-(1-hydroxy-1-methyl-ethyl)-1-oxido-pyridin-1-ium-3-yl]phenyl]-N-isobutyl-4-keto-1,8-naphthyridine-3-carboxamide Formula: C27H28N4O4 MolecularWeight: 472.53562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CN(C2=C(C1=O)C=CC=N2)C3=CC=CC(=C3)C4=C[N+](=C(C=C4)C(C)(C)O)[O-]

Isomeric SMILES

CC(C)CNC(=O)C1=CN(C2=C(C1=O)C=CC=N2)C3=CC=CC(=C3)C4=C[N+](=C(C=C4)C(C)(C)O)[O-]

InChI

InChI=1S/C27H28N4O4/c1-17(2)14-29-26(33)22-16-30(25-21(24(22)32)9-6-12-28-25)20-8-5-7-18(13-20)19-10-11-23(27(3,4)34)31(35)15-19/h5-13,15-17,34H,14H2,1-4H3,(H,29,33)