2-[4-[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]carbonylpiperazin-1-ium-1-yl]-N,N-diethyl-ethanamide

Systemtic Name: 2-[4-[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]carbonylpiperazin-1-ium-1-yl]-N,N-diethyl-ethanamide Openeye Name: 2-[4-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]piperazin-1-ium-1-yl]-N,N-diethyl-acetamide CAS Name: 2-[4-[[4-[(1H-benzimidazol-2-ylthio)methyl]phenyl]-oxomethyl]-1-piperazin-1-iumyl]-N,N-diethylacetamide IUPAC Name: 2-[4-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]piperazin-1-ium-1-yl]-N,N-diethylacetamide Traditional Name: 2-[4-[4-[(1H-benzimidazol-2-ylthio)methyl]benzoyl]piperazin-1-ium-1-yl]-N,N-diethyl-acetamide Formula: C25H32N5O2S+ MolecularWeight: 466.61888

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C25H31N5O2S/c1-3-29(4-2)23(31)17-28-13-15-30(16-14-28)24(32)20-11-9-19(10-12-20)18-33-25-26-21-7-5-6-8-22(21)27-25/h5-12H,3-4,13-18H2,1-2H3,(H,26,27)/p+1