1-ethyl-6-methoxy-2-methylsulfanyl-quinolin-1-ium perchlorate

Systemtic Name: 1-ethyl-6-methoxy-2-methylsulfanyl-quinolin-1-ium perchlorate Openeye Name: 1-ethyl-6-methoxy-2-methylsulfanyl-quinolin-1-ium perchlorate CAS Name: 1-ethyl-6-methoxy-2-(methylthio)quinolin-1-ium perchlorate IUPAC Name: 1-ethyl-6-methoxy-2-methylsulfanylquinolin-1-ium perchlorate Traditional Name: 1-ethyl-6-methoxy-2-(methylthio)quinolin-1-ium perchlorate Formula: C13H16ClNO5S MolecularWeight: 333.78784

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C=CC2=C1C=CC(=C2)OC)SC.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC[N+]1=C(C=CC2=C1C=CC(=C2)OC)SC.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C13H16NOS.ClHO4/c1-4-14-12-7-6-11(15-2)9-10(12)5-8-13(14)16-3;2-1(3,4)5/h5-9H,4H2,1-3H3;(H,2,3,4,5)/q+1;/p-1