3-(phenylmethyl)benzo[g][1,3]benzothiazol-3-ium

Systemtic Name: 3-(phenylmethyl)benzo[g][1,3]benzothiazol-3-ium Openeye Name: 3-benzylbenzo[g][1,3]benzothiazol-3-ium CAS Name: 3-(phenylmethyl)benzo[g][1,3]benzothiazol-3-ium IUPAC Name: 3-benzylbenzo[g][1,3]benzothiazol-3-ium Traditional Name: 3-benzylbenzo[g][1,3]benzothiazol-3-ium Formula: C18H14NS+ MolecularWeight: 276.37546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CSC3=C2C=CC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CSC3=C2C=CC4=CC=CC=C43

InChI

InChI=1S/C18H14NS/c1-2-6-14(7-3-1)12-19-13-20-18-16-9-5-4-8-15(16)10-11-17(18)19/h1-11,13H,12H2/q+1