N-[3-[6-[(1-oxidanidylpyridin-1-ium-4-yl)methyl]quinolin-8-yl]phenyl]benzamide

Systemtic Name: N-[3-[6-[(1-oxidanidylpyridin-1-ium-4-yl)methyl]quinolin-8-yl]phenyl]benzamide Openeye Name: N-[3-[6-[(1-oxidopyridin-1-ium-4-yl)methyl]-8-quinolyl]phenyl]benzamide CAS Name: N-[3-[6-[(1-oxido-4-pyridin-1-iumyl)methyl]-8-quinolinyl]phenyl]benzamide IUPAC Name: N-[3-[6-[(1-oxidopyridin-1-ium-4-yl)methyl]quinolin-8-yl]phenyl]benzamide Traditional Name: N-[3-[6-[(1-oxidopyridin-1-ium-4-yl)methyl]-8-quinolyl]phenyl]benzamide Formula: C28H21N3O2 MolecularWeight: 431.48524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=C4C(=CC(=C3)CC5=CC=[N+](C=C5)[O-])C=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=C4C(=CC(=C3)CC5=CC=[N+](C=C5)[O-])C=CC=N4

InChI

InChI=1S/C28H21N3O2/c32-28(22-6-2-1-3-7-22)30-25-10-4-8-23(19-25)26-18-21(16-20-11-14-31(33)15-12-20)17-24-9-5-13-29-27(24)26/h1-15,17-19H,16H2,(H,30,32)