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

Systemtic Name: (2Z)-2-[[2,6-dimethyl-1-(4-propan-2-ylphenyl)pyridin-1-ium-4-yl]methylidene]-3-methyl-1,3-benzothiazole Openeye Name: (2Z)-2-[[1-(4-isopropylphenyl)-2,6-dimethyl-pyridin-1-ium-4-yl]methylene]-3-methyl-1,3-benzothiazole CAS Name: (2Z)-2-[[2,6-dimethyl-1-(4-propan-2-ylphenyl)-4-pyridin-1-iumyl]methylidene]-3-methyl-1,3-benzothiazole IUPAC Name: (2Z)-2-[[2,6-dimethyl-1-(4-propan-2-ylphenyl)pyridin-1-ium-4-yl]methylidene]-3-methyl-1,3-benzothiazole Traditional Name: (2Z)-2-[(2,6-dimethyl-1-p-cumenyl-pyridin-1-ium-4-yl)methylene]-3-methyl-1,3-benzothiazole Formula: C25H27N2S+ MolecularWeight: 387.56028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[N+]1C2=CC=C(C=C2)C(C)C)C)C=C3N(C4=CC=CC=C4S3)C

Isomeric SMILES

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

InChI

InChI=1S/C25H27N2S/c1-17(2)21-10-12-22(13-11-21)27-18(3)14-20(15-19(27)4)16-25-26(5)23-8-6-7-9-24(23)28-25/h6-17H,1-5H3/q+1