6-(2-imidazol-1-yl-1-phenyl-ethoxy)-5-[2-(1-oxidanidylpyridin-1-ium-2-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one

Systemtic Name: 6-(2-imidazol-1-yl-1-phenyl-ethoxy)-5-[2-(1-oxidanidylpyridin-1-ium-2-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one Openeye Name: 6-(2-imidazol-1-yl-1-phenyl-ethoxy)-5-[2-(1-oxidopyridin-1-ium-2-yl)ethyl]tetralin-1-one CAS Name: 6-[2-(1-imidazolyl)-1-phenylethoxy]-5-[2-(1-oxido-2-pyridin-1-iumyl)ethyl]-3,4-dihydro-2H-naphthalen-1-one IUPAC Name: 6-(2-imidazol-1-yl-1-phenylethoxy)-5-[2-(1-oxidopyridin-1-ium-2-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-one Traditional Name: 6-(2-imidazol-1-yl-1-phenyl-ethoxy)-5-[2-(1-oxidopyridin-1-ium-2-yl)ethyl]tetralin-1-one Formula: C28H27N3O3 MolecularWeight: 453.53228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2CCC3=CC=CC=[N+]3[O-])OC(CN4C=CN=C4)C5=CC=CC=C5)C(=O)C1

Isomeric SMILES

C1CC2=C(C=CC(=C2CCC3=CC=CC=[N+]3[O-])OC(CN4C=CN=C4)C5=CC=CC=C5)C(=O)C1

InChI

InChI=1S/C28H27N3O3/c32-26-11-6-10-23-24(26)14-15-27(25(23)13-12-22-9-4-5-17-31(22)33)34-28(19-30-18-16-29-20-30)21-7-2-1-3-8-21/h1-5,7-9,14-18,20,28H,6,10-13,19H2