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

Systemtic Name: [(1S)-2-[3-[(4-bromophenyl)carbonylamino]propanoylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[3-[(4-bromobenzoyl)amino]propanoylamino]-1-(3-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[3-[[(4-bromophenyl)-oxomethyl]amino]-1-oxopropyl]amino]-1-(3-thiophenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[3-[(4-bromobenzoyl)amino]propanoylamino]-1-thiophen-3-ylethyl]-dimethylazanium Traditional Name: [(1S)-2-[3-[(4-bromobenzoyl)amino]propanoylamino]-1-(3-thienyl)ethyl]-dimethyl-ammonium Formula: C18H23BrN3O2S+ MolecularWeight: 425.36312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22BrN3O2S/c1-22(2)16(14-8-10-25-12-14)11-21-17(23)7-9-20-18(24)13-3-5-15(19)6-4-13/h3-6,8,10,12,16H,7,9,11H2,1-2H3,(H,20,24)(H,21,23)/p+1/t16-/m1/s1