5-[4-(1-butyl-4,6-diphenyl-pyridin-1-ium-2-yl)phenyl]-2-phenyl-1,3-oxazole

Systemtic Name: 5-[4-(1-butyl-4,6-diphenyl-pyridin-1-ium-2-yl)phenyl]-2-phenyl-1,3-oxazole Openeye Name: 5-[4-(1-butyl-4,6-diphenyl-pyridin-1-ium-2-yl)phenyl]-2-phenyl-oxazole CAS Name: 5-[4-(1-butyl-4,6-diphenyl-2-pyridin-1-iumyl)phenyl]-2-phenyloxazole IUPAC Name: 5-[4-(1-butyl-4,6-diphenylpyridin-1-ium-2-yl)phenyl]-2-phenyl-1,3-oxazole Traditional Name: 5-[4-(1-butyl-4,6-diphenyl-pyridin-1-ium-2-yl)phenyl]-2-phenyl-oxazole Formula: C36H31N2O+ MolecularWeight: 507.64414

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(C=C(C=C1C2=CC=C(C=C2)C3=CN=C(O3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CCCC[N+]1=C(C=C(C=C1C2=CC=C(C=C2)C3=CN=C(O3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C36H31N2O/c1-2-3-23-38-33(28-15-9-5-10-16-28)24-32(27-13-7-4-8-14-27)25-34(38)29-19-21-30(22-20-29)35-26-37-36(39-35)31-17-11-6-12-18-31/h4-22,24-26H,2-3,23H2,1H3/q+1