8-[3-[1-(4-chlorophenyl)-2-(1-oxidanidylpyridin-1-ium-4-yl)ethyl]phenyl]quinoline

Systemtic Name: 8-[3-[1-(4-chlorophenyl)-2-(1-oxidanidylpyridin-1-ium-4-yl)ethyl]phenyl]quinoline Openeye Name: 8-[3-[1-(4-chlorophenyl)-2-(1-oxidopyridin-1-ium-4-yl)ethyl]phenyl]quinoline CAS Name: 8-[3-[1-(4-chlorophenyl)-2-(1-oxido-4-pyridin-1-iumyl)ethyl]phenyl]quinoline IUPAC Name: 8-[3-[1-(4-chlorophenyl)-2-(1-oxidopyridin-1-ium-4-yl)ethyl]phenyl]quinoline Traditional Name: 8-[3-[1-(4-chlorophenyl)-2-(1-oxidopyridin-1-ium-4-yl)ethyl]phenyl]quinoline Formula: C28H21ClN2O MolecularWeight: 436.93214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)C3=CC(=CC=C3)C(CC4=CC=[N+](C=C4)[O-])C5=CC=C(C=C5)Cl)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)C3=CC(=CC=C3)C(CC4=CC=[N+](C=C4)[O-])C5=CC=C(C=C5)Cl)N=CC=C2

InChI

InChI=1S/C28H21ClN2O/c29-25-11-9-21(10-12-25)27(18-20-13-16-31(32)17-14-20)24-6-1-5-23(19-24)26-8-2-4-22-7-3-15-30-28(22)26/h1-17,19,27H,18H2