4-methylsulfanyl-1-(phenylmethyl)quinazolin-1-ium chloride

Systemtic Name: 4-methylsulfanyl-1-(phenylmethyl)quinazolin-1-ium chloride Openeye Name: 1-benzyl-4-methylsulfanyl-quinazolin-1-ium chloride CAS Name: 4-(methylthio)-1-(phenylmethyl)quinazolin-1-ium chloride IUPAC Name: 1-benzyl-4-methylsulfanylquinazolin-1-ium chloride Traditional Name: 1-benzyl-4-(methylthio)quinazolin-1-ium chloride Formula: C16H15ClN2S MolecularWeight: 302.8217

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=[N+](C2=CC=CC=C21)CC3=CC=CC=C3.[Cl-]

Isomeric SMILES

CSC1=NC=[N+](C2=CC=CC=C21)CC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C16H15N2S.ClH/c1-19-16-14-9-5-6-10-15(14)18(12-17-16)11-13-7-3-2-4-8-13;/h2-10,12H,11H2,1H3;1H/q+1;/p-1