2-(2,2-diethoxyethylsulfanyl)-6-ethoxy-1H-benzimidazol-3-ium

Systemtic Name: 2-(2,2-diethoxyethylsulfanyl)-6-ethoxy-1H-benzimidazol-3-ium Openeye Name: 2-(2,2-diethoxyethylsulfanyl)-6-ethoxy-1H-benzimidazol-3-ium CAS Name: 2-(2,2-diethoxyethylthio)-6-ethoxy-1H-benzimidazol-3-ium IUPAC Name: 2-(2,2-diethoxyethylsulfanyl)-6-ethoxy-1H-benzimidazol-3-ium Traditional Name: 2-(2,2-diethoxyethylthio)-6-ethoxy-1H-benzimidazol-3-ium Formula: C15H23N2O3S+ MolecularWeight: 311.41972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)[NH+]=C(N2)SCC(OCC)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)[NH+]=C(N2)SCC(OCC)OCC

InChI

InChI=1S/C15H22N2O3S/c1-4-18-11-7-8-12-13(9-11)17-15(16-12)21-10-14(19-5-2)20-6-3/h7-9,14H,4-6,10H2,1-3H3,(H,16,17)/p+1