[(1S)-2-[[5-(4-bromophenyl)-1,2-oxazol-3-yl]carbonylamino]-1-phenyl-ethyl]-diethyl-azanium

Systemtic Name: [(1S)-2-[[5-(4-bromophenyl)-1,2-oxazol-3-yl]carbonylamino]-1-phenyl-ethyl]-diethyl-azanium Openeye Name: [(1S)-2-[[5-(4-bromophenyl)isoxazole-3-carbonyl]amino]-1-phenyl-ethyl]-diethyl-ammonium CAS Name: [(1S)-2-[[[5-(4-bromophenyl)-3-isoxazolyl]-oxomethyl]amino]-1-phenylethyl]-diethylammonium IUPAC Name: [(1S)-2-[[5-(4-bromophenyl)-1,2-oxazole-3-carbonyl]amino]-1-phenylethyl]-diethylazanium Traditional Name: [(1S)-2-[[5-(4-bromophenyl)isoxazole-3-carbonyl]amino]-1-phenyl-ethyl]-diethyl-ammonium Formula: C22H25BrN3O2+ MolecularWeight: 443.3568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24BrN3O2/c1-3-26(4-2)20(16-8-6-5-7-9-16)15-24-22(27)19-14-21(28-25-19)17-10-12-18(23)13-11-17/h5-14,20H,3-4,15H2,1-2H3,(H,24,27)/p+1/t20-/m1/s1