1-ethyl-3-(hexylsulfanylmethyl)-2-phenyl-imidazol-3-ium

Systemtic Name: 1-ethyl-3-(hexylsulfanylmethyl)-2-phenyl-imidazol-3-ium Openeye Name: 1-ethyl-3-(hexylsulfanylmethyl)-2-phenyl-imidazol-3-ium CAS Name: 1-ethyl-3-[(hexylthio)methyl]-2-phenylimidazol-3-ium IUPAC Name: 1-ethyl-3-(hexylsulfanylmethyl)-2-phenylimidazol-3-ium Traditional Name: 1-ethyl-3-[(hexylthio)methyl]-2-phenyl-imidazol-3-ium Formula: C18H27N2S+ MolecularWeight: 303.48538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC[N+]1=C(N(C=C1)CC)C2=CC=CC=C2

Isomeric SMILES

CCCCCCSC[N+]1=C(N(C=C1)CC)C2=CC=CC=C2

InChI

InChI=1S/C18H27N2S/c1-3-5-6-10-15-21-16-20-14-13-19(4-2)18(20)17-11-8-7-9-12-17/h7-9,11-14H,3-6,10,15-16H2,1-2H3/q+1