3-methyl-2-(3-methylthiophen-2-yl)-1,3-benzothiazol-3-ium

Systemtic Name: 3-methyl-2-(3-methylthiophen-2-yl)-1,3-benzothiazol-3-ium Openeye Name: 3-methyl-2-(3-methyl-2-thienyl)-1,3-benzothiazol-3-ium CAS Name: 3-methyl-2-(3-methyl-2-thiophenyl)-1,3-benzothiazol-3-ium IUPAC Name: 3-methyl-2-(3-methylthiophen-2-yl)-1,3-benzothiazol-3-ium Traditional Name: 3-methyl-2-(3-methyl-2-thienyl)-1,3-benzothiazol-3-ium Formula: C13H12NS2+ MolecularWeight: 246.37108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2=[N+](C3=CC=CC=C3S2)C

Isomeric SMILES

CC1=C(SC=C1)C2=[N+](C3=CC=CC=C3S2)C

InChI

InChI=1S/C13H12NS2/c1-9-7-8-15-12(9)13-14(2)10-5-3-4-6-11(10)16-13/h3-8H,1-2H3/q+1