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

Systemtic Name: (2Z)-3-methyl-2-[(1-prop-2-enylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazole bromide Openeye Name: (2Z)-2-[(1-allylquinolin-1-ium-4-yl)methylene]-3-methyl-1,3-benzothiazole bromide CAS Name: (2Z)-3-methyl-2-[(1-prop-2-enyl-4-quinolin-1-iumyl)methylidene]-1,3-benzothiazole bromide IUPAC Name: (2Z)-3-methyl-2-[(1-prop-2-enylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazole bromide Traditional Name: (2Z)-2-[(1-allylquinolin-1-ium-4-yl)methylene]-3-methyl-1,3-benzothiazole bromide Formula: C21H19BrN2S MolecularWeight: 411.35796

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=CC3=CC=[N+](C4=CC=CC=C34)CC=C.[Br-]

Isomeric SMILES

CN\1C2=CC=CC=C2S/C1=C\C3=CC=[N+](C4=CC=CC=C34)CC=C.[Br-]

InChI

InChI=1S/C21H19N2S.BrH/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;/h3-12,14-15H,1,13H2,2H3;1H/q+1;/p-1