8-[3-[1-(4-chlorophenyl)-2-(1-oxidanidylpyridin-1-ium-4-yl)ethyl]phenyl]-6-propan-2-yl-quinoline

Systemtic Name: 8-[3-[1-(4-chlorophenyl)-2-(1-oxidanidylpyridin-1-ium-4-yl)ethyl]phenyl]-6-propan-2-yl-quinoline Openeye Name: 8-[3-[1-(4-chlorophenyl)-2-(1-oxidopyridin-1-ium-4-yl)ethyl]phenyl]-6-isopropyl-quinoline CAS Name: 8-[3-[1-(4-chlorophenyl)-2-(1-oxido-4-pyridin-1-iumyl)ethyl]phenyl]-6-propan-2-ylquinoline IUPAC Name: 8-[3-[1-(4-chlorophenyl)-2-(1-oxidopyridin-1-ium-4-yl)ethyl]phenyl]-6-propan-2-ylquinoline Traditional Name: 8-[3-[1-(4-chlorophenyl)-2-(1-oxidopyridin-1-ium-4-yl)ethyl]phenyl]-6-isopropyl-quinoline Formula: C31H27ClN2O MolecularWeight: 479.01188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)C(CC4=CC=[N+](C=C4)[O-])C5=CC=C(C=C5)Cl

Isomeric SMILES

CC(C)C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)C(CC4=CC=[N+](C=C4)[O-])C5=CC=C(C=C5)Cl

InChI

InChI=1S/C31H27ClN2O/c1-21(2)27-19-26-7-4-14-33-31(26)30(20-27)25-6-3-5-24(18-25)29(23-8-10-28(32)11-9-23)17-22-12-15-34(35)16-13-22/h3-16,18-21,29H,17H2,1-2H3