1-quinolin-1-ium-2-ylsulfanylpropan-2-one perchlorate

Systemtic Name: 1-quinolin-1-ium-2-ylsulfanylpropan-2-one perchlorate Openeye Name: 1-quinolin-1-ium-2-ylsulfanylpropan-2-one perchlorate CAS Name: 1-(2-quinolin-1-iumylthio)-2-propanone perchlorate IUPAC Name: 1-quinolin-1-ium-2-ylsulfanylpropan-2-one perchlorate Traditional Name: 1-(quinolin-1-ium-2-ylthio)acetone perchlorate Formula: C12H12ClNO5S MolecularWeight: 317.74538

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=[NH+]C2=CC=CC=C2C=C1.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC(=O)CSC1=[NH+]C2=CC=CC=C2C=C1.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C12H11NOS.ClHO4/c1-9(14)8-15-12-7-6-10-4-2-3-5-11(10)13-12;2-1(3,4)5/h2-7H,8H2,1H3;(H,2,3,4,5)