(2Z)-2-[(1-ethylpyridin-1-ium-4-yl)methylidene]-3-prop-2-enyl-1,3-benzothiazole iodide

Systemtic Name: (2Z)-2-[(1-ethylpyridin-1-ium-4-yl)methylidene]-3-prop-2-enyl-1,3-benzothiazole iodide Openeye Name: (2Z)-3-allyl-2-[(1-ethylpyridin-1-ium-4-yl)methylene]-1,3-benzothiazole iodide CAS Name: (2Z)-2-[(1-ethyl-4-pyridin-1-iumyl)methylidene]-3-prop-2-enyl-1,3-benzothiazole iodide IUPAC Name: (2Z)-2-[(1-ethylpyridin-1-ium-4-yl)methylidene]-3-prop-2-enyl-1,3-benzothiazole iodide Traditional Name: (2Z)-3-allyl-2-[(1-ethylpyridin-1-ium-4-yl)methylene]-1,3-benzothiazole iodide Formula: C18H19IN2S MolecularWeight: 422.32633

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=C(C=C1)C=C2N(C3=CC=CC=C3S2)CC=C.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C18H19N2S.HI/c1-3-11-20-16-7-5-6-8-17(16)21-18(20)14-15-9-12-19(4-2)13-10-15;/h3,5-10,12-14H,1,4,11H2,2H3;1H/q+1;/p-1