3-[2-(3-methylphenoxy)ethyl]-2-(phenylmethylsulfanyl)-4,5-dihydro-1H-imidazol-3-ium chloride

Systemtic Name: 3-[2-(3-methylphenoxy)ethyl]-2-(phenylmethylsulfanyl)-4,5-dihydro-1H-imidazol-3-ium chloride Openeye Name: 2-benzylsulfanyl-3-[2-(3-methylphenoxy)ethyl]-4,5-dihydro-1H-imidazol-3-ium chloride CAS Name: 3-[2-(3-methylphenoxy)ethyl]-2-(phenylmethylthio)-4,5-dihydro-1H-imidazol-3-ium chloride IUPAC Name: 2-benzylsulfanyl-3-[2-(3-methylphenoxy)ethyl]-4,5-dihydro-1H-imidazol-3-ium chloride Traditional Name: 2-(benzylthio)-1-[2-(3-methylphenoxy)ethyl]-2-imidazolin-1-ium chloride Formula: C19H23ClN2OS MolecularWeight: 362.91672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC[N+]2=C(NCC2)SCC3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC1=CC(=CC=C1)OCC[N+]2=C(NCC2)SCC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C19H22N2OS.ClH/c1-16-6-5-9-18(14-16)22-13-12-21-11-10-20-19(21)23-15-17-7-3-2-4-8-17;/h2-9,14H,10-13,15H2,1H3;1H