1-(4-nitrophenyl)-13-phenoxy-2-(4-phenylpyridin-1-ium-1-yl)tridecan-1-one bromide

Systemtic Name: 1-(4-nitrophenyl)-13-phenoxy-2-(4-phenylpyridin-1-ium-1-yl)tridecan-1-one bromide Openeye Name: 1-(4-nitrophenyl)-13-phenoxy-2-(4-phenylpyridin-1-ium-1-yl)tridecan-1-one bromide CAS Name: 1-(4-nitrophenyl)-13-phenoxy-2-(4-phenyl-1-pyridin-1-iumyl)-1-tridecanone bromide IUPAC Name: 1-(4-nitrophenyl)-13-phenoxy-2-(4-phenylpyridin-1-ium-1-yl)tridecan-1-one bromide Traditional Name: 1-(4-nitrophenyl)-13-phenoxy-2-(4-phenylpyridin-1-ium-1-yl)tridecan-1-one bromide Formula: C36H41BrN2O4 MolecularWeight: 645.62574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=[N+](C=C2)C(CCCCCCCCCCCOC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=[N+](C=C2)C(CCCCCCCCCCCOC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C36H41N2O4.BrH/c39-36(32-21-23-33(24-22-32)38(40)41)35(37-27-25-31(26-28-37)30-16-10-8-11-17-30)20-14-6-4-2-1-3-5-7-15-29-42-34-18-12-9-13-19-34;/h8-13,16-19,21-28,35H,1-7,14-15,20,29H2;1H/q+1;/p-1