2-(1H-benzimidazol-2-ylsulfanyl)-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(1H-benzimidazol-2-ylthio)-N-[[4-(4-morpholin-4-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(1H-benzimidazol-2-ylthio)-N-[4-(morpholin-4-ium-4-ylmethyl)benzyl]acetamide Formula: C21H25N4O2S+ MolecularWeight: 397.5138

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)CNC(=O)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)CNC(=O)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H24N4O2S/c26-20(15-28-21-23-18-3-1-2-4-19(18)24-21)22-13-16-5-7-17(8-6-16)14-25-9-11-27-12-10-25/h1-8H,9-15H2,(H,22,26)(H,23,24)/p+1