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

Systemtic Name: (2Z)-2-[(1-butyl-2,6-dimethyl-pyridin-1-ium-4-yl)methylidene]-3-methyl-1,3-benzothiazole Openeye Name: (2Z)-2-[(1-butyl-2,6-dimethyl-pyridin-1-ium-4-yl)methylene]-3-methyl-1,3-benzothiazole CAS Name: (2Z)-2-[(1-butyl-2,6-dimethyl-4-pyridin-1-iumyl)methylidene]-3-methyl-1,3-benzothiazole IUPAC Name: (2Z)-2-[(1-butyl-2,6-dimethylpyridin-1-ium-4-yl)methylidene]-3-methyl-1,3-benzothiazole Traditional Name: (2Z)-2-[(1-butyl-2,6-dimethyl-pyridin-1-ium-4-yl)methylene]-3-methyl-1,3-benzothiazole Formula: C20H25N2S+ MolecularWeight: 325.4909

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(C=C(C=C1C)C=C2N(C3=CC=CC=C3S2)C)C

Isomeric SMILES

CCCC[N+]1=C(C=C(C=C1C)/C=C\2/N(C3=CC=CC=C3S2)C)C

InChI

InChI=1S/C20H25N2S/c1-5-6-11-22-15(2)12-17(13-16(22)3)14-20-21(4)18-9-7-8-10-19(18)23-20/h7-10,12-14H,5-6,11H2,1-4H3/q+1