3-methyl-2-[[5-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methyl]thiophen-2-yl]methyl]-1,3-benzothiazol-3-ium

Systemtic Name: 3-methyl-2-[[5-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methyl]thiophen-2-yl]methyl]-1,3-benzothiazol-3-ium Openeye Name: 3-methyl-2-[[5-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methyl]-2-thienyl]methyl]-1,3-benzothiazol-3-ium CAS Name: 3-methyl-2-[[5-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methyl]-2-thiophenyl]methyl]-1,3-benzothiazol-3-ium IUPAC Name: 3-methyl-2-[[5-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methyl]thiophen-2-yl]methyl]-1,3-benzothiazol-3-ium Traditional Name: 3-methyl-2-[[5-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methyl]-2-thienyl]methyl]-1,3-benzothiazol-3-ium Formula: C22H20N2S3+2 MolecularWeight: 408.6026

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)CC3=CC=C(S3)CC4=[N+](C5=CC=CC=C5S4)C

Isomeric SMILES

C[N+]1=C(SC2=CC=CC=C21)CC3=CC=C(S3)CC4=[N+](C5=CC=CC=C5S4)C

InChI

InChI=1S/C22H20N2S3/c1-23-17-7-3-5-9-19(17)26-21(23)13-15-11-12-16(25-15)14-22-24(2)18-8-4-6-10-20(18)27-22/h3-12H,13-14H2,1-2H3/q+2