(2Z)-2-[[1-(4-methoxyphenyl)-2,6-dimethyl-pyridin-1-ium-4-yl]methylidene]-1-methyl-benzo[e][1,3]benzothiazole iodide

Systemtic Name: (2Z)-2-[[1-(4-methoxyphenyl)-2,6-dimethyl-pyridin-1-ium-4-yl]methylidene]-1-methyl-benzo[e][1,3]benzothiazole iodide Openeye Name: (2Z)-2-[[1-(4-methoxyphenyl)-2,6-dimethyl-pyridin-1-ium-4-yl]methylene]-1-methyl-benzo[e][1,3]benzothiazole iodide CAS Name: (2Z)-2-[[1-(4-methoxyphenyl)-2,6-dimethyl-4-pyridin-1-iumyl]methylidene]-1-methylbenzo[e][1,3]benzothiazole iodide IUPAC Name: (2Z)-2-[[1-(4-methoxyphenyl)-2,6-dimethylpyridin-1-ium-4-yl]methylidene]-1-methylbenzo[e][1,3]benzothiazole iodide Traditional Name: (2Z)-2-[[1-(4-methoxyphenyl)-2,6-dimethyl-pyridin-1-ium-4-yl]methylene]-1-methyl-benzo[e][1,3]benzothiazole iodide Formula: C27H25IN2OS MolecularWeight: 552.46967

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[N+]1C2=CC=C(C=C2)OC)C)C=C3N(C4=C(S3)C=CC5=CC=CC=C54)C.[I-]

Isomeric SMILES

CC1=CC(=CC(=[N+]1C2=CC=C(C=C2)OC)C)/C=C\3/N(C4=C(S3)C=CC5=CC=CC=C54)C.[I-]

InChI

InChI=1S/C27H25N2OS.HI/c1-18-15-20(16-19(2)29(18)22-10-12-23(30-4)13-11-22)17-26-28(3)27-24-8-6-5-7-21(24)9-14-25(27)31-26;/h5-17H,1-4H3;1H/q+1;/p-1