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

Systemtic Name: N-(5-chloranyl-2-pyrrolidin-1-yl-phenyl)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanamide Openeye Name: N-(5-chloro-2-pyrrolidin-1-yl-phenyl)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide CAS Name: N-[5-chloro-2-(1-pyrrolidinyl)phenyl]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide IUPAC Name: N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide Traditional Name: N-(5-chloro-2-pyrrolidino-phenyl)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide Formula: C20H22ClN4OS+ MolecularWeight: 401.93288

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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)N4CCCC4

Isomeric SMILES

C[N+]1=C(NC2=CC=CC=C21)SCC(=O)NC3=C(C=CC(=C3)Cl)N4CCCC4

InChI

InChI=1S/C20H21ClN4OS/c1-24-17-7-3-2-6-15(17)23-20(24)27-13-19(26)22-16-12-14(21)8-9-18(16)25-10-4-5-11-25/h2-3,6-9,12H,4-5,10-11,13H2,1H3,(H,22,26)/p+1