(4-nitrophenyl)-[2-[12-(4-phenylpyridin-1-ium-1-yl)dodecoxy]phenyl]methanone bromide

Systemtic Name: (4-nitrophenyl)-[2-[12-(4-phenylpyridin-1-ium-1-yl)dodecoxy]phenyl]methanone bromide Openeye Name: (4-nitrophenyl)-[2-[12-(4-phenylpyridin-1-ium-1-yl)dodecoxy]phenyl]methanone bromide CAS Name: (4-nitrophenyl)-[2-[12-(4-phenyl-1-pyridin-1-iumyl)dodecoxy]phenyl]methanone bromide IUPAC Name: (4-nitrophenyl)-[2-[12-(4-phenylpyridin-1-ium-1-yl)dodecoxy]phenyl]methanone bromide Traditional Name: (4-nitrophenyl)-[2-[12-(4-phenylpyridin-1-ium-1-yl)dodecoxy]phenyl]methanone 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)CCCCCCCCCCCCOC3=CC=CC=C3C(=O)C4=CC=C(C=C4)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=[N+](C=C2)CCCCCCCCCCCCOC3=CC=CC=C3C(=O)C4=CC=C(C=C4)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C36H41N2O4.BrH/c39-36(32-20-22-33(23-21-32)38(40)41)34-18-12-13-19-35(34)42-29-15-8-6-4-2-1-3-5-7-14-26-37-27-24-31(25-28-37)30-16-10-9-11-17-30;/h9-13,16-25,27-28H,1-8,14-15,26,29H2;1H/q+1;/p-1