1-(6-chloranylpyridazin-3-yl)oxy-4-methyl-1,3-bis(phenylmethyl)quinolin-1-ium-2-one

Systemtic Name: 1-(6-chloranylpyridazin-3-yl)oxy-4-methyl-1,3-bis(phenylmethyl)quinolin-1-ium-2-one Openeye Name: 1,3-dibenzyl-1-(6-chloropyridazin-3-yl)oxy-4-methyl-quinolin-1-ium-2-one CAS Name: 1-[(6-chloro-3-pyridazinyl)oxy]-4-methyl-1,3-bis(phenylmethyl)-2-quinolin-1-iumone IUPAC Name: 1,3-dibenzyl-1-(6-chloropyridazin-3-yl)oxy-4-methylquinolin-1-ium-2-one Traditional Name: 1,3-dibenzyl-1-(6-chloropyridazin-3-yl)oxy-4-methyl-quinolin-1-ium-2-one Formula: C28H23ClN3O2+ MolecularWeight: 468.95412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)[N+](C2=CC=CC=C12)(CC3=CC=CC=C3)OC4=NN=C(C=C4)Cl)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)[N+](C2=CC=CC=C12)(CC3=CC=CC=C3)OC4=NN=C(C=C4)Cl)CC5=CC=CC=C5

InChI

InChI=1S/C28H23ClN3O2/c1-20-23-14-8-9-15-25(23)32(19-22-12-6-3-7-13-22,34-27-17-16-26(29)30-31-27)28(33)24(20)18-21-10-4-2-5-11-21/h2-17H,18-19H2,1H3/q+1