3-(phenylmethyl)-1,3-benzothiazol-3-ium perchlorate

Systemtic Name: 3-(phenylmethyl)-1,3-benzothiazol-3-ium perchlorate Openeye Name: 3-benzyl-1,3-benzothiazol-3-ium perchlorate CAS Name: 3-(phenylmethyl)-1,3-benzothiazol-3-ium perchlorate IUPAC Name: 3-benzyl-1,3-benzothiazol-3-ium perchlorate Traditional Name: 3-benzyl-1,3-benzothiazol-3-ium perchlorate Formula: C14H12ClNO4S MolecularWeight: 325.76738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CSC3=CC=CC=C32.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C14H12NS.ClHO4/c1-2-6-12(7-3-1)10-15-11-16-14-9-5-4-8-13(14)15;2-1(3,4)5/h1-9,11H,10H2;(H,2,3,4,5)/q+1;/p-1