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

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

Systemtic Name:1-ethyl-3-(hexadecylsulfanylmethyl)benzimidazol-3-ium
Openeye Name:1-ethyl-3-(hexadecylsulfanylmethyl)benzimidazol-3-ium
CAS Name:1-ethyl-3-[(hexadecylthio)methyl]benzimidazol-3-ium
IUPAC Name:1-ethyl-3-(hexadecylsulfanylmethyl)benzimidazol-3-ium
Traditional Name:1-[(cetylthio)methyl]-3-ethyl-benzimidazol-1-ium
Formula: C26H45N2S+
MolecularWeight: 417.7139
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C26H45N2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-22-29-24-28-23-27(4-2)25-20-17-18-21-26(25)28/h17-18,20-21,23H,3-16,19,22,24H2,1-2H3/q+1


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