2-[(Z)-(2-butyl-1-phenyl-1H-quinolin-1-ium-4-ylidene)methyl]-3-methyl-2H-1,3-benzothiazole iodide

Systemtic Name: 2-[(Z)-(2-butyl-1-phenyl-1H-quinolin-1-ium-4-ylidene)methyl]-3-methyl-2H-1,3-benzothiazole iodide Openeye Name: 2-[(Z)-(2-butyl-1-phenyl-1H-quinolin-1-ium-4-ylidene)methyl]-3-methyl-2H-1,3-benzothiazole iodide CAS Name: 2-[(Z)-(2-butyl-1-phenyl-1H-quinolin-1-ium-4-ylidene)methyl]-3-methyl-2H-1,3-benzothiazole iodide IUPAC Name: 2-[(Z)-(2-butyl-1-phenyl-1H-quinolin-1-ium-4-ylidene)methyl]-3-methyl-2H-1,3-benzothiazole iodide Traditional Name: 2-[(Z)-(2-butyl-1-phenyl-1H-quinolin-1-ium-4-ylidene)methyl]-3-methyl-2H-1,3-benzothiazole iodide Formula: C28H29IN2S MolecularWeight: 552.51273

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=CC2N(C3=CC=CC=C3S2)C)C4=CC=CC=C4[NH+]1C5=CC=CC=C5.[I-]

Isomeric SMILES

CCCCC1=C/C(=C/C2N(C3=CC=CC=C3S2)C)/C4=CC=CC=C4[NH+]1C5=CC=CC=C5.[I-]

InChI

InChI=1S/C28H28N2S.HI/c1-3-4-12-23-19-21(20-28-29(2)26-17-10-11-18-27(26)31-28)24-15-8-9-16-25(24)30(23)22-13-6-5-7-14-22;/h5-11,13-20,28H,3-4,12H2,1-2H3;1H/b21-20-;