2,3-dimethyl-5-phenyl-1,3-benzothiazol-3-ium; methyl sulfate

Systemtic Name: 2,3-dimethyl-5-phenyl-1,3-benzothiazol-3-ium; methyl sulfate Openeye Name: 2,3-dimethyl-5-phenyl-1,3-benzothiazol-3-ium; methyl sulfate CAS Name: 2,3-dimethyl-5-phenyl-1,3-benzothiazol-3-ium; methyl sulfate IUPAC Name: 2,3-dimethyl-5-phenyl-1,3-benzothiazol-3-ium; methyl sulfate Traditional Name: 2,3-dimethyl-5-phenyl-1,3-benzothiazol-3-ium; methyl sulfate Formula: C16H17NO4S2 MolecularWeight: 351.44048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(S1)C=CC(=C2)C3=CC=CC=C3)C.COS(=O)(=O)[O-]

Isomeric SMILES

CC1=[N+](C2=C(S1)C=CC(=C2)C3=CC=CC=C3)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C15H14NS.CH4O4S/c1-11-16(2)14-10-13(8-9-15(14)17-11)12-6-4-3-5-7-12;1-5-6(2,3)4/h3-10H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1