2-[(2E)-2-[(1-ethyl-7-methyl-quinolin-1-ium-2-yl)methylidene]-6-methyl-1,3-benzothiazol-3-yl]ethanol

Systemtic Name: 2-[(2E)-2-[(1-ethyl-7-methyl-quinolin-1-ium-2-yl)methylidene]-6-methyl-1,3-benzothiazol-3-yl]ethanol Openeye Name: 2-[(2E)-2-[(1-ethyl-7-methyl-quinolin-1-ium-2-yl)methylene]-6-methyl-1,3-benzothiazol-3-yl]ethanol CAS Name: 2-[(2E)-2-[(1-ethyl-7-methyl-2-quinolin-1-iumyl)methylidene]-6-methyl-1,3-benzothiazol-3-yl]ethanol IUPAC Name: 2-[(2E)-2-[(1-ethyl-7-methylquinolin-1-ium-2-yl)methylidene]-6-methyl-1,3-benzothiazol-3-yl]ethanol Traditional Name: 2-[(2E)-2-[(1-ethyl-7-methyl-quinolin-1-ium-2-yl)methylene]-6-methyl-1,3-benzothiazol-3-yl]ethanol Formula: C23H25N2OS+ MolecularWeight: 377.5224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C=CC2=C1C=C(C=C2)C)C=C3N(C4=C(S3)C=C(C=C4)C)CCO

Isomeric SMILES

CC[N+]1=C(C=CC2=C1C=C(C=C2)C)/C=C/3\N(C4=C(S3)C=C(C=C4)C)CCO

InChI

InChI=1S/C23H25N2OS/c1-4-24-19(9-8-18-7-5-16(2)13-21(18)24)15-23-25(11-12-26)20-10-6-17(3)14-22(20)27-23/h5-10,13-15,26H,4,11-12H2,1-3H3/q+1