(2Z)-6-(1,3-benzothiazol-2-yl)-3-methyl-2-[(1-methylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazole

Systemtic Name: (2Z)-6-(1,3-benzothiazol-2-yl)-3-methyl-2-[(1-methylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazole Openeye Name: (2Z)-6-(1,3-benzothiazol-2-yl)-3-methyl-2-[(1-methylquinolin-1-ium-4-yl)methylene]-1,3-benzothiazole CAS Name: (2Z)-6-(1,3-benzothiazol-2-yl)-3-methyl-2-[(1-methyl-4-quinolin-1-iumyl)methylidene]-1,3-benzothiazole IUPAC Name: (2Z)-6-(1,3-benzothiazol-2-yl)-3-methyl-2-[(1-methylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazole Traditional Name: (2Z)-6-(1,3-benzothiazol-2-yl)-3-methyl-2-[(1-methylquinolin-1-ium-4-yl)methylene]-1,3-benzothiazole Formula: C26H20N3S2+ MolecularWeight: 438.5871

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C3=NC4=CC=CC=C4S3)SC1=CC5=CC=[N+](C6=CC=CC=C56)C

Isomeric SMILES

CN\1C2=C(C=C(C=C2)C3=NC4=CC=CC=C4S3)S/C1=C\C5=CC=[N+](C6=CC=CC=C56)C

InChI

InChI=1S/C26H20N3S2/c1-28-14-13-17(19-7-3-5-9-21(19)28)16-25-29(2)22-12-11-18(15-24(22)30-25)26-27-20-8-4-6-10-23(20)31-26/h3-16H,1-2H3/q+1