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

Systemtic Name: dimethyl-[(1S)-2-[[4-(phenylcarbonyl)phenyl]carbonylamino]-1-thiophen-3-yl-ethyl]azanium Openeye Name: [(1S)-2-[(4-benzoylbenzoyl)amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(4-benzoylphenyl)-oxomethyl]amino]-1-(3-thiophenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(4-benzoylbenzoyl)amino]-1-thiophen-3-ylethyl]-dimethylazanium Traditional Name: [(1S)-2-[(4-benzoylbenzoyl)amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium Formula: C22H23N2O2S+ MolecularWeight: 379.49522

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2)C3=CSC=C3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2)C3=CSC=C3

InChI

InChI=1S/C22H22N2O2S/c1-24(2)20(19-12-13-27-15-19)14-23-22(26)18-10-8-17(9-11-18)21(25)16-6-4-3-5-7-16/h3-13,15,20H,14H2,1-2H3,(H,23,26)/p+1/t20-/m1/s1