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

Systemtic Name: 1-(decylsulfanylmethyl)-3-ethyl-benzimidazol-1-ium Openeye Name: 1-(decylsulfanylmethyl)-3-ethyl-benzimidazol-1-ium CAS Name: 1-[(decylthio)methyl]-3-ethylbenzimidazol-1-ium IUPAC Name: 1-(decylsulfanylmethyl)-3-ethylbenzimidazol-1-ium Traditional Name: 1-[(decylthio)methyl]-3-ethyl-benzimidazol-1-ium Formula: C20H33N2S+ MolecularWeight: 333.55442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33N2S/c1-3-5-6-7-8-9-10-13-16-23-18-22-17-21(4-2)19-14-11-12-15-20(19)22/h11-12,14-15,17H,3-10,13,16,18H2,1-2H3/q+1