2,2,4-trimethyl-6-(phenylsulfanylmethyl)-1H-quinolin-1-ium chloride

Systemtic Name: 2,2,4-trimethyl-6-(phenylsulfanylmethyl)-1H-quinolin-1-ium chloride Openeye Name: 2,2,4-trimethyl-6-(phenylsulfanylmethyl)-1H-quinolin-1-ium chloride CAS Name: 2,2,4-trimethyl-6-[(phenylthio)methyl]-1H-quinolin-1-ium chloride IUPAC Name: 2,2,4-trimethyl-6-(phenylsulfanylmethyl)-1H-quinolin-1-ium chloride Traditional Name: 2,2,4-trimethyl-6-[(phenylthio)methyl]-1H-quinolin-1-ium chloride Formula: C19H22ClNS MolecularWeight: 331.90268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC([NH2+]C2=C1C=C(C=C2)CSC3=CC=CC=C3)(C)C.[Cl-]

Isomeric SMILES

CC1=CC([NH2+]C2=C1C=C(C=C2)CSC3=CC=CC=C3)(C)C.[Cl-]

InChI

InChI=1S/C19H21NS.ClH/c1-14-12-19(2,3)20-18-10-9-15(11-17(14)18)13-21-16-7-5-4-6-8-16;/h4-12,20H,13H2,1-3H3;1H