2,3-dimethyl-5-(4-methylphenyl)-1,3-benzothiazol-3-ium

Systemtic Name: 2,3-dimethyl-5-(4-methylphenyl)-1,3-benzothiazol-3-ium Openeye Name: 2,3-dimethyl-5-(p-tolyl)-1,3-benzothiazol-3-ium CAS Name: 2,3-dimethyl-5-(4-methylphenyl)-1,3-benzothiazol-3-ium IUPAC Name: 2,3-dimethyl-5-(4-methylphenyl)-1,3-benzothiazol-3-ium Traditional Name: 2,3-dimethyl-5-(p-tolyl)-1,3-benzothiazol-3-ium Formula: C16H16NS+ MolecularWeight: 254.36994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)SC(=[N+]3C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)SC(=[N+]3C)C

InChI

InChI=1S/C16H16NS/c1-11-4-6-13(7-5-11)14-8-9-16-15(10-14)17(3)12(2)18-16/h4-10H,1-3H3/q+1