3-[2-methyl-3-(4-phenylsulfanylphenyl)propyl]-1H-imidazol-3-ium chloride

Systemtic Name: 3-[2-methyl-3-(4-phenylsulfanylphenyl)propyl]-1H-imidazol-3-ium chloride Openeye Name: 3-[2-methyl-3-(4-phenylsulfanylphenyl)propyl]-1H-imidazol-3-ium chloride CAS Name: 3-[2-methyl-3-[4-(phenylthio)phenyl]propyl]-1H-imidazol-3-ium chloride IUPAC Name: 3-[2-methyl-3-(4-phenylsulfanylphenyl)propyl]-1H-imidazol-3-ium chloride Traditional Name: 3-[2-methyl-3-[4-(phenylthio)phenyl]propyl]-1H-imidazol-3-ium chloride Formula: C19H21ClN2S MolecularWeight: 344.90144

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)SC2=CC=CC=C2)C[N+]3=CNC=C3.[Cl-]

Isomeric SMILES

CC(CC1=CC=C(C=C1)SC2=CC=CC=C2)C[N+]3=CNC=C3.[Cl-]

InChI

InChI=1S/C19H20N2S.ClH/c1-16(14-21-12-11-20-15-21)13-17-7-9-19(10-8-17)22-18-5-3-2-4-6-18;/h2-12,15-16H,13-14H2,1H3;1H