5-methyl-3-(phenylmethyl)-1,3-benzothiazol-3-ium

Systemtic Name: 5-methyl-3-(phenylmethyl)-1,3-benzothiazol-3-ium Openeye Name: 3-benzyl-5-methyl-1,3-benzothiazol-3-ium CAS Name: 5-methyl-3-(phenylmethyl)-1,3-benzothiazol-3-ium IUPAC Name: 3-benzyl-5-methyl-1,3-benzothiazol-3-ium Traditional Name: 3-benzyl-5-methyl-1,3-benzothiazol-3-ium Formula: C15H14NS+ MolecularWeight: 240.34336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC=[N+]2CC3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)SC=[N+]2CC3=CC=CC=C3

InChI

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