(2Z)-2-[(1-methylpyridin-1-ium-2-yl)methylidene]-3-prop-2-enyl-1,3-benzothiazole

Systemtic Name: (2Z)-2-[(1-methylpyridin-1-ium-2-yl)methylidene]-3-prop-2-enyl-1,3-benzothiazole Openeye Name: (2Z)-3-allyl-2-[(1-methylpyridin-1-ium-2-yl)methylene]-1,3-benzothiazole CAS Name: (2Z)-2-[(1-methyl-2-pyridin-1-iumyl)methylidene]-3-prop-2-enyl-1,3-benzothiazole IUPAC Name: (2Z)-2-[(1-methylpyridin-1-ium-2-yl)methylidene]-3-prop-2-enyl-1,3-benzothiazole Traditional Name: (2Z)-3-allyl-2-[(1-methylpyridin-1-ium-2-yl)methylene]-1,3-benzothiazole Formula: C17H17N2S+ MolecularWeight: 281.39528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[N+]1=CC=CC=C1/C=C\2/N(C3=CC=CC=C3S2)CC=C

InChI

InChI=1S/C17H17N2S/c1-3-11-19-15-9-4-5-10-16(15)20-17(19)13-14-8-6-7-12-18(14)2/h3-10,12-13H,1,11H2,2H3/q+1