3-[(4-methylphenyl)methyl]-1,3-benzothiazol-3-ium

Systemtic Name: 3-[(4-methylphenyl)methyl]-1,3-benzothiazol-3-ium Openeye Name: 3-(p-tolylmethyl)-1,3-benzothiazol-3-ium CAS Name: 3-[(4-methylphenyl)methyl]-1,3-benzothiazol-3-ium IUPAC Name: 3-[(4-methylphenyl)methyl]-1,3-benzothiazol-3-ium Traditional Name: 3-(4-methylbenzyl)-1,3-benzothiazol-3-ium Formula: C15H14NS+ MolecularWeight: 240.34336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32

Isomeric SMILES

CC1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32

InChI

InChI=1S/C15H14NS/c1-12-6-8-13(9-7-12)10-16-11-17-15-5-3-2-4-14(15)16/h2-9,11H,10H2,1H3/q+1