[(E)-1-(4-heptyl-2-methyl-1,3-thiazol-5-yl)-2-phenyl-ethenyl]-dimethyl-azanium iodide

Systemtic Name: [(E)-1-(4-heptyl-2-methyl-1,3-thiazol-5-yl)-2-phenyl-ethenyl]-dimethyl-azanium iodide Openeye Name: [(E)-1-(4-heptyl-2-methyl-thiazol-5-yl)-2-phenyl-vinyl]-dimethyl-ammonium iodide CAS Name: [(E)-1-(4-heptyl-2-methyl-5-thiazolyl)-2-phenylethenyl]-dimethylammonium iodide IUPAC Name: [(E)-1-(4-heptyl-2-methyl-1,3-thiazol-5-yl)-2-phenylethenyl]-dimethylazanium iodide Traditional Name: [(E)-1-(4-heptyl-2-methyl-thiazol-5-yl)-2-phenyl-vinyl]-dimethyl-ammonium iodide Formula: C21H31IN2S MolecularWeight: 470.45371

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(SC(=N1)C)C(=CC2=CC=CC=C2)[NH+](C)C.[I-]

Isomeric SMILES

CCCCCCCC1=C(SC(=N1)C)/C(=C\C2=CC=CC=C2)/[NH+](C)C.[I-]

InChI

InChI=1S/C21H30N2S.HI/c1-5-6-7-8-12-15-19-21(24-17(2)22-19)20(23(3)4)16-18-13-10-9-11-14-18;/h9-11,13-14,16H,5-8,12,15H2,1-4H3;1H/b20-16+;