2-[(6-ethoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-phenethyl-ethanamide

Systemtic Name: 2-[(6-ethoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[(6-ethoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[(6-ethoxy-1H-benzimidazol-3-ium-2-yl)thio]-N-phenethylacetamide IUPAC Name: 2-[(6-ethoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-phenethylacetamide Traditional Name: 2-[(6-ethoxy-1H-benzimidazol-3-ium-2-yl)thio]-N-phenethyl-acetamide Formula: C19H22N3O2S+ MolecularWeight: 356.46188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)[NH+]=C(N2)SCC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC2=C(C=C1)[NH+]=C(N2)SCC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C19H21N3O2S/c1-2-24-15-8-9-16-17(12-15)22-19(21-16)25-13-18(23)20-11-10-14-6-4-3-5-7-14/h3-9,12H,2,10-11,13H2,1H3,(H,20,23)(H,21,22)/p+1