2-methyl-3-[3-[2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)ethoxy]propyl]-1,3-benzothiazol-3-ium

Systemtic Name: 2-methyl-3-[3-[2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)ethoxy]propyl]-1,3-benzothiazol-3-ium Openeye Name: 2-methyl-3-[3-[2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)ethoxy]propyl]-1,3-benzothiazol-3-ium CAS Name: 2-methyl-3-[3-[2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)ethoxy]propyl]-1,3-benzothiazol-3-ium IUPAC Name: 2-methyl-3-[3-[2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)ethoxy]propyl]-1,3-benzothiazol-3-ium Traditional Name: 2-methyl-3-[3-[2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)ethoxy]propyl]-1,3-benzothiazol-3-ium Formula: C21H24N2OS2+2 MolecularWeight: 384.55806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2S1)CCCOCC[N+]3=C(SC4=CC=CC=C43)C

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2S1)CCCOCC[N+]3=C(SC4=CC=CC=C43)C

InChI

InChI=1S/C21H24N2OS2/c1-16-22(18-8-3-5-10-20(18)25-16)12-7-14-24-15-13-23-17(2)26-21-11-6-4-9-19(21)23/h3-6,8-11H,7,12-15H2,1-2H3/q+2