1-(butylsulfanylmethyl)-3-ethyl-benzimidazol-1-ium

Systemtic Name: 1-(butylsulfanylmethyl)-3-ethyl-benzimidazol-1-ium Openeye Name: 1-(butylsulfanylmethyl)-3-ethyl-benzimidazol-1-ium CAS Name: 1-[(butylthio)methyl]-3-ethylbenzimidazol-1-ium IUPAC Name: 1-(butylsulfanylmethyl)-3-ethylbenzimidazol-1-ium Traditional Name: 1-[(butylthio)methyl]-3-ethyl-benzimidazol-1-ium Formula: C14H21N2S+ MolecularWeight: 249.39494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC[N+]1=CN(C2=CC=CC=C21)CC

Isomeric SMILES

CCCCSC[N+]1=CN(C2=CC=CC=C21)CC

InChI

InChI=1S/C14H21N2S/c1-3-5-10-17-12-16-11-15(4-2)13-8-6-7-9-14(13)16/h6-9,11H,3-5,10,12H2,1-2H3/q+1