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

Systemtic Name: 1-(butylsulfanylmethyl)-3-ethyl-2-phenyl-imidazol-1-ium Openeye Name: 1-(butylsulfanylmethyl)-3-ethyl-2-phenyl-imidazol-1-ium CAS Name: 1-[(butylthio)methyl]-3-ethyl-2-phenylimidazol-1-ium IUPAC Name: 1-(butylsulfanylmethyl)-3-ethyl-2-phenylimidazol-1-ium Traditional Name: 1-[(butylthio)methyl]-3-ethyl-2-phenyl-imidazol-1-ium Formula: C16H23N2S+ MolecularWeight: 275.43222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N2S/c1-3-5-13-19-14-18-12-11-17(4-2)16(18)15-9-7-6-8-10-15/h6-12H,3-5,13-14H2,1-2H3/q+1