3-methyl-2-(phenylmethyl)-1,3-benzothiazol-3-ium; methyl sulfate

Systemtic Name: 3-methyl-2-(phenylmethyl)-1,3-benzothiazol-3-ium; methyl sulfate Openeye Name: 2-benzyl-3-methyl-1,3-benzothiazol-3-ium; methyl sulfate CAS Name: 3-methyl-2-(phenylmethyl)-1,3-benzothiazol-3-ium; methyl sulfate IUPAC Name: 2-benzyl-3-methyl-1,3-benzothiazol-3-ium; methyl sulfate Traditional Name: 2-benzyl-3-methyl-1,3-benzothiazol-3-ium; methyl sulfate Formula: C16H17NO4S2 MolecularWeight: 351.44048

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)CC3=CC=CC=C3.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C(SC2=CC=CC=C21)CC3=CC=CC=C3.COS(=O)(=O)[O-]

InChI

InChI=1S/C15H14NS.CH4O4S/c1-16-13-9-5-6-10-14(13)17-15(16)11-12-7-3-2-4-8-12;1-5-6(2,3)4/h2-10H,11H2,1H3;1H3,(H,2,3,4)/q+1;/p-1