1-ethyl-2-[(1-ethyl-6-methyl-quinolin-1-ium-2-yl)methylidene]benzo[e][1,3]benzothiazole bromide

Systemtic Name: 1-ethyl-2-[(1-ethyl-6-methyl-quinolin-1-ium-2-yl)methylidene]benzo[e][1,3]benzothiazole bromide Openeye Name: 1-ethyl-2-[(1-ethyl-6-methyl-quinolin-1-ium-2-yl)methylene]benzo[e][1,3]benzothiazole bromide CAS Name: 1-ethyl-2-[(1-ethyl-6-methyl-2-quinolin-1-iumyl)methylidene]benzo[e][1,3]benzothiazole bromide IUPAC Name: 1-ethyl-2-[(1-ethyl-6-methylquinolin-1-ium-2-yl)methylidene]benzo[e][1,3]benzothiazole bromide Traditional Name: 1-ethyl-2-[(1-ethyl-6-methyl-quinolin-1-ium-2-yl)methylene]benzo[e][1,3]benzothiazole bromide Formula: C26H25BrN2S MolecularWeight: 477.4591

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC2=[N+](C3=C(C=C2)C=C(C=C3)C)CC)SC4=C1C5=CC=CC=C5C=C4.[Br-]

Isomeric SMILES

CCN1C(=CC2=[N+](C3=C(C=C2)C=C(C=C3)C)CC)SC4=C1C5=CC=CC=C5C=C4.[Br-]

InChI

InChI=1S/C26H25N2S.BrH/c1-4-27-21(13-11-20-16-18(3)10-14-23(20)27)17-25-28(5-2)26-22-9-7-6-8-19(22)12-15-24(26)29-25;/h6-17H,4-5H2,1-3H3;1H/q+1;/p-1