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

Systemtic Name: [(1S)-2-[(3-bromanyl-4-methoxy-phenyl)carbonylamino]-1-thiophen-2-yl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(3-bromo-4-methoxy-benzoyl)amino]-1-(2-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(3-bromo-4-methoxyphenyl)-oxomethyl]amino]-1-thiophen-2-ylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(3-bromo-4-methoxybenzoyl)amino]-1-thiophen-2-ylethyl]-dimethylazanium Traditional Name: [(1S)-2-[(3-bromo-4-methoxy-benzoyl)amino]-1-(2-thienyl)ethyl]-dimethyl-ammonium Formula: C16H20BrN2O2S+ MolecularWeight: 384.3112

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=CC(=C(C=C1)OC)Br)C2=CC=CS2

Isomeric SMILES

C[NH+](C)[C@@H](CNC(=O)C1=CC(=C(C=C1)OC)Br)C2=CC=CS2

InChI

InChI=1S/C16H19BrN2O2S/c1-19(2)13(15-5-4-8-22-15)10-18-16(20)11-6-7-14(21-3)12(17)9-11/h4-9,13H,10H2,1-3H3,(H,18,20)/p+1/t13-/m0/s1