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6-ethoxy-2-phenethylsulfanyl-1H-benzimidazol-3-ium

6-ethoxy-2-phenethylsulfanyl-1H-benzimidazol-3-ium

Systemtic Name:6-ethoxy-2-phenethylsulfanyl-1H-benzimidazol-3-ium
Openeye Name:6-ethoxy-2-phenethylsulfanyl-1H-benzimidazol-3-ium
CAS Name:6-ethoxy-2-(phenethylthio)-1H-benzimidazol-3-ium
IUPAC Name:6-ethoxy-2-phenethylsulfanyl-1H-benzimidazol-3-ium
Traditional Name:6-ethoxy-2-(phenethylthio)-1H-benzimidazol-3-ium
Formula: C17H19N2OS+
MolecularWeight: 299.41056
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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)[NH+]=C(N2)SCCC3=CC=CC=C3


Isomeric SMILES

CCOC1=CC2=C(C=C1)[NH+]=C(N2)SCCC3=CC=CC=C3


InChI

InChI=1S/C17H18N2OS/c1-2-20-14-8-9-15-16(12-14)19-17(18-15)21-11-10-13-6-4-3-5-7-13/h3-9,12H,2,10-11H2,1H3,(H,18,19)/p+1


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