1-(4-nitrophenyl)-4-phenoxy-2-(4-phenylpyridin-1-ium-1-yl)butan-1-one chloride

Systemtic Name: 1-(4-nitrophenyl)-4-phenoxy-2-(4-phenylpyridin-1-ium-1-yl)butan-1-one chloride Openeye Name: 1-(4-nitrophenyl)-4-phenoxy-2-(4-phenylpyridin-1-ium-1-yl)butan-1-one chloride CAS Name: 1-(4-nitrophenyl)-4-phenoxy-2-(4-phenyl-1-pyridin-1-iumyl)-1-butanone chloride IUPAC Name: 1-(4-nitrophenyl)-4-phenoxy-2-(4-phenylpyridin-1-ium-1-yl)butan-1-one chloride Traditional Name: 1-(4-nitrophenyl)-4-phenoxy-2-(4-phenylpyridin-1-ium-1-yl)butan-1-one chloride Formula: C27H23ClN2O4 MolecularWeight: 474.93552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=[N+](C=C2)C(CCOC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-].[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=[N+](C=C2)C(CCOC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C27H23N2O4.ClH/c30-27(23-11-13-24(14-12-23)29(31)32)26(17-20-33-25-9-5-2-6-10-25)28-18-15-22(16-19-28)21-7-3-1-4-8-21;/h1-16,18-19,26H,17,20H2;1H/q+1;/p-1