3-methyl-2-phenyl-1,3-benzothiazol-3-ium perchlorate

Systemtic Name: 3-methyl-2-phenyl-1,3-benzothiazol-3-ium perchlorate Openeye Name: 3-methyl-2-phenyl-1,3-benzothiazol-3-ium perchlorate CAS Name: 3-methyl-2-phenyl-1,3-benzothiazol-3-ium perchlorate IUPAC Name: 3-methyl-2-phenyl-1,3-benzothiazol-3-ium perchlorate Traditional Name: 3-methyl-2-phenyl-1,3-benzothiazol-3-ium perchlorate Formula: C14H12ClNO4S MolecularWeight: 325.76738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12NS.ClHO4/c1-15-12-9-5-6-10-13(12)16-14(15)11-7-3-2-4-8-11;2-1(3,4)5/h2-10H,1H3;(H,2,3,4,5)/q+1;/p-1