[(1S)-2-[[4-(benzimidazol-1-yl)phenyl]carbonylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[[4-(benzimidazol-1-yl)phenyl]carbonylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[4-(benzimidazol-1-yl)benzoyl]amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[[4-(1-benzimidazolyl)phenyl]-oxomethyl]amino]-1-(3-thiophenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[4-(benzimidazol-1-yl)benzoyl]amino]-1-thiophen-3-ylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[4-(benzimidazol-1-yl)benzoyl]amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium Formula: C22H23N4OS+ MolecularWeight: 391.50922

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=CC=C(C=C1)N2C=NC3=CC=CC=C32)C4=CSC=C4

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=CC=C(C=C1)N2C=NC3=CC=CC=C32)C4=CSC=C4

InChI

InChI=1S/C22H22N4OS/c1-25(2)21(17-11-12-28-14-17)13-23-22(27)16-7-9-18(10-8-16)26-15-24-19-5-3-4-6-20(19)26/h3-12,14-15,21H,13H2,1-2H3,(H,23,27)/p+1/t21-/m1/s1