6-(2-imidazol-1-yl-1-phenyl-ethoxy)-5-[2-(1-oxidanidylpyridin-1-ium-4-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-4-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-4-yl)ethyl]tetralin-1-one CAS Name: 6-[2-(1-imidazolyl)-1-phenylethoxy]-5-[2-(1-oxido-4-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-4-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-4-yl)ethyl]tetralin-1-one Formula: C28H27N3O3 MolecularWeight: 453.53228

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2CCC3=CC=[N+](C=C3)[O-])OC(CN4C=CN=C4)C5=CC=CC=C5)C(=O)C1

Isomeric SMILES

C1CC2=C(C=CC(=C2CCC3=CC=[N+](C=C3)[O-])OC(CN4C=CN=C4)C5=CC=CC=C5)C(=O)C1

InChI

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