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

Systemtic Name: (2E)-3-ethyl-2-[(1-ethyl-5-phenyl-pyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole Openeye Name: (2E)-3-ethyl-2-[(1-ethyl-5-phenyl-pyrimidin-1-ium-2-yl)methylene]-1,3-benzothiazole CAS Name: (2E)-3-ethyl-2-[(1-ethyl-5-phenyl-2-pyrimidin-1-iumyl)methylidene]-1,3-benzothiazole IUPAC Name: (2E)-3-ethyl-2-[(1-ethyl-5-phenylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole Traditional Name: (2E)-3-ethyl-2-[(1-ethyl-5-phenyl-pyrimidin-1-ium-2-yl)methylene]-1,3-benzothiazole Formula: C22H22N3S+ MolecularWeight: 360.49518

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2SC1=CC3=NC=C(C=[N+]3CC)C4=CC=CC=C4

Isomeric SMILES

CCN\1C2=CC=CC=C2S/C1=C/C3=NC=C(C=[N+]3CC)C4=CC=CC=C4

InChI

InChI=1S/C22H22N3S/c1-3-24-16-18(17-10-6-5-7-11-17)15-23-21(24)14-22-25(4-2)19-12-8-9-13-20(19)26-22/h5-16H,3-4H2,1-2H3/q+1