1,3-dimethylpyrido[2,1-b][1,3]benzothiazol-10-ium perchlorate

Systemtic Name: 1,3-dimethylpyrido[2,1-b][1,3]benzothiazol-10-ium perchlorate Openeye Name: 1,3-dimethylpyrido[2,1-b][1,3]benzothiazol-10-ium perchlorate CAS Name: 1,3-dimethylpyrido[2,1-b][1,3]benzothiazol-10-ium perchlorate IUPAC Name: 1,3-dimethylpyrido[2,1-b][1,3]benzothiazol-10-ium perchlorate Traditional Name: 1,3-dimethylpyrido[2,1-b][1,3]benzothiazol-10-ium perchlorate Formula: C13H12ClNO4S MolecularWeight: 313.75668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+]2C3=CC=CC=C3SC2=C1)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC(=[N+]2C3=CC=CC=C3SC2=C1)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C13H12NS.ClHO4/c1-9-7-10(2)14-11-5-3-4-6-12(11)15-13(14)8-9;2-1(3,4)5/h3-8H,1-2H3;(H,2,3,4,5)/q+1;/p-1