N-cyclopropyl-1-[3-[5-[1-oxidanidyl-6-(2-oxidanylpropan-2-yl)pyridin-1-ium-3-yl]pyridin-3-yl]phenyl]-4-oxidanylidene-1,8-naphthyridine-3-carboxamide

Systemtic Name: N-cyclopropyl-1-[3-[5-[1-oxidanidyl-6-(2-oxidanylpropan-2-yl)pyridin-1-ium-3-yl]pyridin-3-yl]phenyl]-4-oxidanylidene-1,8-naphthyridine-3-carboxamide Openeye Name: N-cyclopropyl-1-[3-[5-[6-(1-hydroxy-1-methyl-ethyl)-1-oxido-pyridin-1-ium-3-yl]-3-pyridyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide CAS Name: N-cyclopropyl-1-[3-[5-[6-(2-hydroxypropan-2-yl)-1-oxido-3-pyridin-1-iumyl]-3-pyridinyl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide IUPAC Name: N-cyclopropyl-1-[3-[5-[6-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-3-yl]pyridin-3-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide Traditional Name: N-cyclopropyl-1-[3-[5-[6-(1-hydroxy-1-methyl-ethyl)-1-oxido-pyridin-1-ium-3-yl]-3-pyridyl]phenyl]-4-keto-1,8-naphthyridine-3-carboxamide Formula: C31H27N5O4 MolecularWeight: 533.57718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=[N+](C=C(C=C1)C2=CN=CC(=C2)C3=CC(=CC=C3)N4C=C(C(=O)C5=C4N=CC=C5)C(=O)NC6CC6)[O-])O

Isomeric SMILES

CC(C)(C1=[N+](C=C(C=C1)C2=CN=CC(=C2)C3=CC(=CC=C3)N4C=C(C(=O)C5=C4N=CC=C5)C(=O)NC6CC6)[O-])O

InChI

InChI=1S/C31H27N5O4/c1-31(2,39)27-11-8-20(17-36(27)40)22-13-21(15-32-16-22)19-5-3-6-24(14-19)35-18-26(30(38)34-23-9-10-23)28(37)25-7-4-12-33-29(25)35/h3-8,11-18,23,39H,9-10H2,1-2H3,(H,34,38)