(2E)-3-heptyl-2-[(1,4,6-trimethylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole

Systemtic Name: (2E)-3-heptyl-2-[(1,4,6-trimethylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole Openeye Name: (2E)-3-heptyl-2-[(1,4,6-trimethylpyrimidin-1-ium-2-yl)methylene]-1,3-benzothiazole CAS Name: (2E)-3-heptyl-2-[(1,4,6-trimethyl-2-pyrimidin-1-iumyl)methylidene]-1,3-benzothiazole IUPAC Name: (2E)-3-heptyl-2-[(1,4,6-trimethylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole Traditional Name: (2E)-3-heptyl-2-[(1,4,6-trimethylpyrimidin-1-ium-2-yl)methylene]-1,3-benzothiazole Formula: C22H30N3S+ MolecularWeight: 368.5587

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=CC=CC=C2SC1=CC3=NC(=CC(=[N+]3C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H30N3S/c1-5-6-7-8-11-14-25-19-12-9-10-13-20(19)26-22(25)16-21-23-17(2)15-18(3)24(21)4/h9-10,12-13,15-16H,5-8,11,14H2,1-4H3/q+1