(2E)-3-ethyl-2-[(1-methylpyridin-1-ium-3-yl)methylidene]-5-phenyl-1,3-benzothiazole

Systemtic Name: (2E)-3-ethyl-2-[(1-methylpyridin-1-ium-3-yl)methylidene]-5-phenyl-1,3-benzothiazole Openeye Name: (2E)-3-ethyl-2-[(1-methylpyridin-1-ium-3-yl)methylene]-5-phenyl-1,3-benzothiazole CAS Name: (2E)-3-ethyl-2-[(1-methyl-3-pyridin-1-iumyl)methylidene]-5-phenyl-1,3-benzothiazole IUPAC Name: (2E)-3-ethyl-2-[(1-methylpyridin-1-ium-3-yl)methylidene]-5-phenyl-1,3-benzothiazole Traditional Name: (2E)-3-ethyl-2-[(1-methylpyridin-1-ium-3-yl)methylene]-5-phenyl-1,3-benzothiazole Formula: C22H21N2S+ MolecularWeight: 345.48054

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)C3=CC=CC=C3)SC1=CC4=C[N+](=CC=C4)C

Isomeric SMILES

CCN\1C2=C(C=CC(=C2)C3=CC=CC=C3)S/C1=C/C4=C[N+](=CC=C4)C

InChI

InChI=1S/C22H21N2S/c1-3-24-20-15-19(18-9-5-4-6-10-18)11-12-21(20)25-22(24)14-17-8-7-13-23(2)16-17/h4-16H,3H2,1-2H3/q+1/b22-14+