N-(5-chloranyl-2-morpholin-4-yl-phenyl)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(5-chloranyl-2-morpholin-4-yl-phenyl)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanamide Openeye Name: N-(5-chloro-2-morpholino-phenyl)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide CAS Name: N-[5-chloro-2-(4-morpholinyl)phenyl]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide IUPAC Name: N-(5-chloro-2-morpholin-4-ylphenyl)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide Traditional Name: N-(5-chloro-2-morpholino-phenyl)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide Formula: C20H22ClN4O2S+ MolecularWeight: 417.93228

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC2=CC=CC=C21)SCC(=O)NC3=C(C=CC(=C3)Cl)N4CCOCC4

Isomeric SMILES

C[N+]1=C(NC2=CC=CC=C21)SCC(=O)NC3=C(C=CC(=C3)Cl)N4CCOCC4

InChI

InChI=1S/C20H21ClN4O2S/c1-24-17-5-3-2-4-15(17)23-20(24)28-13-19(26)22-16-12-14(21)6-7-18(16)25-8-10-27-11-9-25/h2-7,12H,8-11,13H2,1H3,(H,22,26)/p+1