2-[(1Z)-1-(1-cyclohexyl-2H-quinolin-1-ium-3-ylidene)ethyl]-1,3-benzothiazole iodide

Systemtic Name: 2-[(1Z)-1-(1-cyclohexyl-2H-quinolin-1-ium-3-ylidene)ethyl]-1,3-benzothiazole iodide Openeye Name: 2-[(1Z)-1-(1-cyclohexyl-2H-quinolin-1-ium-3-ylidene)ethyl]-1,3-benzothiazole iodide CAS Name: 2-[(1Z)-1-(1-cyclohexyl-2H-quinolin-1-ium-3-ylidene)ethyl]-1,3-benzothiazole iodide IUPAC Name: 2-[(1Z)-1-(1-cyclohexyl-2H-quinolin-1-ium-3-ylidene)ethyl]-1,3-benzothiazole iodide Traditional Name: 2-[(1Z)-1-(1-cyclohexyl-2H-quinolin-1-ium-3-ylidene)ethyl]-1,3-benzothiazole iodide Formula: C24H25IN2S MolecularWeight: 500.43817

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C[N+](=C2C=CC=CC2=C1)C3CCCCC3)C4=NC5=CC=CC=C5S4.[I-]

Isomeric SMILES

C/C(=C\1/C[N+](=C2C=CC=CC2=C1)C3CCCCC3)/C4=NC5=CC=CC=C5S4.[I-]

InChI

InChI=1S/C24H25N2S.HI/c1-17(24-25-21-12-6-8-14-23(21)27-24)19-15-18-9-5-7-13-22(18)26(16-19)20-10-3-2-4-11-20;/h5-9,12-15,20H,2-4,10-11,16H2,1H3;1H/q+1;/p-1/b19-17-;