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

Systemtic Name: (2Z)-2-[(1,4-dimethylquinolin-1-ium-2-yl)methylidene]-3-methyl-1,3-benzothiazole; methyl sulfate Openeye Name: (2Z)-2-[(1,4-dimethylquinolin-1-ium-2-yl)methylene]-3-methyl-1,3-benzothiazole; methyl sulfate CAS Name: (2Z)-2-[(1,4-dimethyl-2-quinolin-1-iumyl)methylidene]-3-methyl-1,3-benzothiazole; methyl sulfate IUPAC Name: (2Z)-2-[(1,4-dimethylquinolin-1-ium-2-yl)methylidene]-3-methyl-1,3-benzothiazole; methyl sulfate Traditional Name: (2Z)-2-[(1,4-dimethylquinolin-1-ium-2-yl)methylene]-3-methyl-1,3-benzothiazole; methyl sulfate Formula: C21H22N2O4S2 MolecularWeight: 430.54038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](C2=CC=CC=C12)C)C=C3N(C4=CC=CC=C4S3)C.COS(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=[N+](C2=CC=CC=C12)C)/C=C\3/N(C4=CC=CC=C4S3)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C20H19N2S.CH4O4S/c1-14-12-15(21(2)17-9-5-4-8-16(14)17)13-20-22(3)18-10-6-7-11-19(18)23-20;1-5-6(2,3)4/h4-13H,1-3H3;1H3,(H,2,3,4)/q+1;/p-1