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

Systemtic Name: 2-methyl-3-[(2-methyl-1,3-benzothiazol-3-ium-3-yl)methyl]-1,3-benzothiazol-3-ium Openeye Name: 2-methyl-3-[(2-methyl-1,3-benzothiazol-3-ium-3-yl)methyl]-1,3-benzothiazol-3-ium CAS Name: 2-methyl-3-[(2-methyl-1,3-benzothiazol-3-ium-3-yl)methyl]-1,3-benzothiazol-3-ium IUPAC Name: 2-methyl-3-[(2-methyl-1,3-benzothiazol-3-ium-3-yl)methyl]-1,3-benzothiazol-3-ium Traditional Name: 2-methyl-3-[(2-methyl-1,3-benzothiazol-3-ium-3-yl)methyl]-1,3-benzothiazol-3-ium Formula: C17H16N2S2+2 MolecularWeight: 312.45234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2S2/c1-12-18(14-7-3-5-9-16(14)20-12)11-19-13(2)21-17-10-6-4-8-15(17)19/h3-10H,11H2,1-2H3/q+2