2-[(E)-(2-butyl-1-phenyl-quinolin-4-ylidene)methyl]-4-methyl-[1,3]oxazolo[4,5-b]pyridin-4-ium hydroiodide

Systemtic Name: 2-[(E)-(2-butyl-1-phenyl-quinolin-4-ylidene)methyl]-4-methyl-[1,3]oxazolo[4,5-b]pyridin-4-ium hydroiodide Openeye Name: 2-[(E)-(2-butyl-1-phenyl-4-quinolylidene)methyl]-4-methyl-oxazolo[4,5-b]pyridin-4-ium hydroiodide CAS Name: 2-[(E)-(2-butyl-1-phenyl-4-quinolinylidene)methyl]-4-methyloxazolo[4,5-b]pyridin-4-ium hydroiodide IUPAC Name: 2-[(E)-(2-butyl-1-phenylquinolin-4-ylidene)methyl]-4-methyl-[1,3]oxazolo[4,5-b]pyridin-4-ium hydroiodide Traditional Name: 2-[(E)-(2-butyl-1-phenyl-4-quinolylidene)methyl]-4-methyl-oxazolo[4,5-b]pyridin-4-ium hydroiodide Formula: C27H27IN3O+ MolecularWeight: 536.42725

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=CC2=NC3=C(O2)C=CC=[N+]3C)C4=CC=CC=C4N1C5=CC=CC=C5.I

Isomeric SMILES

CCCCC1=C/C(=C\C2=NC3=C(O2)C=CC=[N+]3C)/C4=CC=CC=C4N1C5=CC=CC=C5.I

InChI

InChI=1S/C27H26N3O.HI/c1-3-4-11-22-18-20(19-26-28-27-25(31-26)16-10-17-29(27)2)23-14-8-9-15-24(23)30(22)21-12-6-5-7-13-21;/h5-10,12-19H,3-4,11H2,1-2H3;1H/q+1;