(2Z)-2-[(2-butyl-1-phenyl-quinolin-1-ium-4-yl)methylidene]-3-methyl-1,3-benzothiazole

Systemtic Name: (2Z)-2-[(2-butyl-1-phenyl-quinolin-1-ium-4-yl)methylidene]-3-methyl-1,3-benzothiazole Openeye Name: (2Z)-2-[(2-butyl-1-phenyl-quinolin-1-ium-4-yl)methylene]-3-methyl-1,3-benzothiazole CAS Name: (2Z)-2-[(2-butyl-1-phenyl-4-quinolin-1-iumyl)methylidene]-3-methyl-1,3-benzothiazole IUPAC Name: (2Z)-2-[(2-butyl-1-phenylquinolin-1-ium-4-yl)methylidene]-3-methyl-1,3-benzothiazole Traditional Name: (2Z)-2-[(2-butyl-1-phenyl-quinolin-1-ium-4-yl)methylene]-3-methyl-1,3-benzothiazole Formula: C28H27N2S+ MolecularWeight: 423.59238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[N+](C2=CC=CC=C2C(=C1)C=C3N(C4=CC=CC=C4S3)C)C5=CC=CC=C5

Isomeric SMILES

CCCCC1=[N+](C2=CC=CC=C2C(=C1)/C=C\3/N(C4=CC=CC=C4S3)C)C5=CC=CC=C5

InChI

InChI=1S/C28H27N2S/c1-3-4-12-23-19-21(20-28-29(2)26-17-10-11-18-27(26)31-28)24-15-8-9-16-25(24)30(23)22-13-6-5-7-14-22/h5-11,13-20H,3-4,12H2,1-2H3/q+1