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

Systemtic Name: diethyl-[(1S)-1-(4-methylphenyl)-2-[(5-phenyl-1,2-oxazol-3-yl)carbonylamino]ethyl]azanium Openeye Name: diethyl-[(1S)-2-[(5-phenylisoxazole-3-carbonyl)amino]-1-(p-tolyl)ethyl]ammonium CAS Name: diethyl-[(1S)-1-(4-methylphenyl)-2-[[oxo-(5-phenyl-3-isoxazolyl)methyl]amino]ethyl]ammonium IUPAC Name: diethyl-[(1S)-1-(4-methylphenyl)-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl]azanium Traditional Name: diethyl-[(1S)-2-[(5-phenylisoxazole-3-carbonyl)amino]-1-(p-tolyl)ethyl]ammonium Formula: C23H28N3O2+ MolecularWeight: 378.48732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O2/c1-4-26(5-2)21(18-13-11-17(3)12-14-18)16-24-23(27)20-15-22(28-25-20)19-9-7-6-8-10-19/h6-15,21H,4-5,16H2,1-3H3,(H,24,27)/p+1/t21-/m1/s1