(2Z)-2-[[2,6-dimethyl-1-(4-methylphenyl)pyridin-1-ium-4-yl]methylidene]-3-(phenylmethyl)-1,3-benzothiazole iodide

Systemtic Name: (2Z)-2-[[2,6-dimethyl-1-(4-methylphenyl)pyridin-1-ium-4-yl]methylidene]-3-(phenylmethyl)-1,3-benzothiazole iodide Openeye Name: (2Z)-3-benzyl-2-[[2,6-dimethyl-1-(p-tolyl)pyridin-1-ium-4-yl]methylene]-1,3-benzothiazole iodide CAS Name: (2Z)-2-[[2,6-dimethyl-1-(4-methylphenyl)-4-pyridin-1-iumyl]methylidene]-3-(phenylmethyl)-1,3-benzothiazole iodide IUPAC Name: (2Z)-3-benzyl-2-[[2,6-dimethyl-1-(4-methylphenyl)pyridin-1-ium-4-yl]methylidene]-1,3-benzothiazole iodide Traditional Name: (2Z)-3-benzyl-2-[[2,6-dimethyl-1-(p-tolyl)pyridin-1-ium-4-yl]methylene]-1,3-benzothiazole iodide Formula: C29H27IN2S MolecularWeight: 562.50755

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[N+]2=C(C=C(C=C2C)C=C3N(C4=CC=CC=C4S3)CC5=CC=CC=C5)C.[I-]

Isomeric SMILES

CC1=CC=C(C=C1)[N+]2=C(C=C(C=C2C)/C=C\3/N(C4=CC=CC=C4S3)CC5=CC=CC=C5)C.[I-]

InChI

InChI=1S/C29H27N2S.HI/c1-21-13-15-26(16-14-21)31-22(2)17-25(18-23(31)3)19-29-30(20-24-9-5-4-6-10-24)27-11-7-8-12-28(27)32-29;/h4-19H,20H2,1-3H3;1H/q+1;/p-1