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

Systemtic Name: (2Z)-3-methyl-2-[(1-propylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazole Openeye Name: (2Z)-3-methyl-2-[(1-propylquinolin-1-ium-4-yl)methylene]-1,3-benzothiazole CAS Name: (2Z)-3-methyl-2-[(1-propyl-4-quinolin-1-iumyl)methylidene]-1,3-benzothiazole IUPAC Name: (2Z)-3-methyl-2-[(1-propylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazole Traditional Name: (2Z)-3-methyl-2-[(1-propylquinolin-1-ium-4-yl)methylene]-1,3-benzothiazole Formula: C21H21N2S+ MolecularWeight: 333.46984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CC=C(C2=CC=CC=C21)C=C3N(C4=CC=CC=C4S3)C

Isomeric SMILES

CCC[N+]1=CC=C(C2=CC=CC=C21)/C=C\3/N(C4=CC=CC=C4S3)C

InChI

InChI=1S/C21H21N2S/c1-3-13-23-14-12-16(17-8-4-5-9-18(17)23)15-21-22(2)19-10-6-7-11-20(19)24-21/h4-12,14-15H,3,13H2,1-2H3/q+1