9-[[(4Z)-4-[(3-methyl-2H-1,3-benzothiazol-2-yl)methylidene]-1-phenyl-1H-quinolin-1-ium-2-yl]sulfanyl]nonane-1-thiol iodide

Systemtic Name: 9-[[(4Z)-4-[(3-methyl-2H-1,3-benzothiazol-2-yl)methylidene]-1-phenyl-1H-quinolin-1-ium-2-yl]sulfanyl]nonane-1-thiol iodide Openeye Name: 9-[[(4Z)-4-[(3-methyl-2H-1,3-benzothiazol-2-yl)methylene]-1-phenyl-1H-quinolin-1-ium-2-yl]sulfanyl]nonane-1-thiol iodide CAS Name: 9-[[(4Z)-4-[(3-methyl-2H-1,3-benzothiazol-2-yl)methylidene]-1-phenyl-1H-quinolin-1-ium-2-yl]thio]-1-nonanethiol iodide IUPAC Name: 9-[[(4Z)-4-[(3-methyl-2H-1,3-benzothiazol-2-yl)methylidene]-1-phenyl-1H-quinolin-1-ium-2-yl]sulfanyl]nonane-1-thiol iodide Traditional Name: 9-[[(4Z)-4-[(3-methyl-2H-1,3-benzothiazol-2-yl)methylene]-1-phenyl-1H-quinolin-1-ium-2-yl]thio]nonane-1-thiol iodide Formula: C33H39IN2S3 MolecularWeight: 686.77563

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(SC2=CC=CC=C21)C=C3C=C([NH+](C4=CC=CC=C43)C5=CC=CC=C5)SCCCCCCCCCS.[I-]

Isomeric SMILES

CN1C(SC2=CC=CC=C21)/C=C\3/C=C([NH+](C4=CC=CC=C43)C5=CC=CC=C5)SCCCCCCCCCS.[I-]

InChI

InChI=1S/C33H38N2S3.HI/c1-34-30-20-12-13-21-31(30)38-32(34)24-26-25-33(37-23-15-6-4-2-3-5-14-22-36)35(27-16-8-7-9-17-27)29-19-11-10-18-28(26)29;/h7-13,16-21,24-25,32,36H,2-6,14-15,22-23H2,1H3;1H/b26-24-;