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

Systemtic Name: dimethyl-[(1S)-1-phenyl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)carbonylamino]ethyl]azanium Openeye Name: dimethyl-[(1S)-1-phenyl-2-[[5-(2-thienyl)isoxazole-3-carbonyl]amino]ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[oxo-(5-thiophen-2-yl-3-isoxazolyl)methyl]amino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1S)-1-phenyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]ethyl]azanium Traditional Name: dimethyl-[(1S)-1-phenyl-2-[[5-(2-thienyl)isoxazole-3-carbonyl]amino]ethyl]ammonium Formula: C18H20N3O2S+ MolecularWeight: 342.4353

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=NOC(=C1)C2=CC=CS2)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=NOC(=C1)C2=CC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C18H19N3O2S/c1-21(2)15(13-7-4-3-5-8-13)12-19-18(22)14-11-16(23-20-14)17-9-6-10-24-17/h3-11,15H,12H2,1-2H3,(H,19,22)/p+1/t15-/m1/s1