3-[5-[1,2-bis(bromanyl)-2-phenyl-ethyl]-4,5-dihydro-1H-pyrazol-3-yl]-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one

Systemtic Name: 3-[5-[1,2-bis(bromanyl)-2-phenyl-ethyl]-4,5-dihydro-1H-pyrazol-3-yl]-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one Openeye Name: 3-[5-(1,2-dibromo-2-phenyl-ethyl)-4,5-dihydro-1H-pyrazol-3-yl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one CAS Name: 3-[5-(1,2-dibromo-2-phenylethyl)-4,5-dihydro-1H-pyrazol-3-yl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one IUPAC Name: 3-[5-(1,2-dibromo-2-phenylethyl)-4,5-dihydro-1H-pyrazol-3-yl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Traditional Name: 3-[5-(1,2-dibromo-2-phenyl-ethyl)-2-pyrazolin-3-yl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Formula: C21H20Br2N3O2+ MolecularWeight: 506.2104

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C(C(=O)C2=CC=CC=C21)C3=NNC(C3)C(C(C4=CC=CC=C4)Br)Br)O

Isomeric SMILES

C[N+]1=C(C(C(=O)C2=CC=CC=C21)C3=NNC(C3)C(C(C4=CC=CC=C4)Br)Br)O

InChI

InChI=1S/C21H19Br2N3O2/c1-26-16-10-6-5-9-13(16)20(27)17(21(26)28)14-11-15(25-24-14)19(23)18(22)12-7-3-2-4-8-12/h2-10,15,17-19,25H,11H2,1H3/p+1