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

Systemtic Name: 3-ethyl-2-methyl-1,3-benzothiazol-3-ium perchlorate Openeye Name: 3-ethyl-2-methyl-1,3-benzothiazol-3-ium perchlorate CAS Name: 3-ethyl-2-methyl-1,3-benzothiazol-3-ium perchlorate IUPAC Name: 3-ethyl-2-methyl-1,3-benzothiazol-3-ium perchlorate Traditional Name: 3-ethyl-2-methyl-1,3-benzothiazol-3-ium perchlorate Formula: C10H12ClNO4S MolecularWeight: 277.72458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12NS.ClHO4/c1-3-11-8(2)12-10-7-5-4-6-9(10)11;2-1(3,4)5/h4-7H,3H2,1-2H3;(H,2,3,4,5)/q+1;/p-1