(2Z)-3,5-dimethyl-2-[(1-methylpyridin-1-ium-2-yl)methylidene]-1,3-benzothiazole

Systemtic Name: (2Z)-3,5-dimethyl-2-[(1-methylpyridin-1-ium-2-yl)methylidene]-1,3-benzothiazole Openeye Name: (2Z)-3,5-dimethyl-2-[(1-methylpyridin-1-ium-2-yl)methylene]-1,3-benzothiazole CAS Name: (2Z)-3,5-dimethyl-2-[(1-methyl-2-pyridin-1-iumyl)methylidene]-1,3-benzothiazole IUPAC Name: (2Z)-3,5-dimethyl-2-[(1-methylpyridin-1-ium-2-yl)methylidene]-1,3-benzothiazole Traditional Name: (2Z)-3,5-dimethyl-2-[(1-methylpyridin-1-ium-2-yl)methylene]-1,3-benzothiazole Formula: C16H17N2S+ MolecularWeight: 269.38458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=CC3=CC=CC=[N+]3C)N2C

Isomeric SMILES

CC1=CC2=C(C=C1)S/C(=C\C3=CC=CC=[N+]3C)/N2C

InChI

InChI=1S/C16H17N2S/c1-12-7-8-15-14(10-12)18(3)16(19-15)11-13-6-4-5-9-17(13)2/h4-11H,1-3H3/q+1