[(1S)-2-[(5-bromanyl-2-oxidanyl-phenyl)carbonylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[(5-bromanyl-2-oxidanyl-phenyl)carbonylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(5-bromo-2-hydroxy-benzoyl)amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(5-bromo-2-hydroxyphenyl)-oxomethyl]amino]-1-(3-thiophenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(5-bromo-2-hydroxybenzoyl)amino]-1-thiophen-3-ylethyl]-dimethylazanium Traditional Name: [(1S)-2-[(5-bromo-2-hydroxy-benzoyl)amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium Formula: C15H18BrN2O2S+ MolecularWeight: 370.28462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17BrN2O2S/c1-18(2)13(10-5-6-21-9-10)8-17-15(20)12-7-11(16)3-4-14(12)19/h3-7,9,13,19H,8H2,1-2H3,(H,17,20)/p+1/t13-/m1/s1