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

Systemtic Name: (2Z)-2-[(2,6-dimethyl-1-phenethyl-pyridin-1-ium-4-yl)methylidene]-3-methyl-1,3-benzothiazole iodide Openeye Name: (2Z)-2-[(2,6-dimethyl-1-phenethyl-pyridin-1-ium-4-yl)methylene]-3-methyl-1,3-benzothiazole iodide CAS Name: (2Z)-2-[(2,6-dimethyl-1-phenethyl-4-pyridin-1-iumyl)methylidene]-3-methyl-1,3-benzothiazole iodide IUPAC Name: (2Z)-2-[(2,6-dimethyl-1-phenethylpyridin-1-ium-4-yl)methylidene]-3-methyl-1,3-benzothiazole iodide Traditional Name: (2Z)-2-[(2,6-dimethyl-1-phenethyl-pyridin-1-ium-4-yl)methylene]-3-methyl-1,3-benzothiazole iodide Formula: C24H25IN2S MolecularWeight: 500.43817

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[N+]1CCC2=CC=CC=C2)C)C=C3N(C4=CC=CC=C4S3)C.[I-]

Isomeric SMILES

CC1=CC(=CC(=[N+]1CCC2=CC=CC=C2)C)/C=C\3/N(C4=CC=CC=C4S3)C.[I-]

InChI

InChI=1S/C24H25N2S.HI/c1-18-15-21(17-24-25(3)22-11-7-8-12-23(22)27-24)16-19(2)26(18)14-13-20-9-5-4-6-10-20;/h4-12,15-17H,13-14H2,1-3H3;1H/q+1;/p-1