diethyl-[(2S)-1-[(4-nitrophenyl)carbonylamino]-3-phenyl-propan-2-yl]azanium

Systemtic Name: diethyl-[(2S)-1-[(4-nitrophenyl)carbonylamino]-3-phenyl-propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-[(4-nitrobenzoyl)amino]ethyl]-diethyl-ammonium CAS Name: diethyl-[(2S)-1-[[(4-nitrophenyl)-oxomethyl]amino]-3-phenylpropan-2-yl]ammonium IUPAC Name: diethyl-[(2S)-1-[(4-nitrobenzoyl)amino]-3-phenylpropan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-[(4-nitrobenzoyl)amino]ethyl]-diethyl-ammonium Formula: C20H26N3O3+ MolecularWeight: 356.43874

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CC1=CC=CC=C1)CNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC[NH+](CC)[C@@H](CC1=CC=CC=C1)CNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O3/c1-3-22(4-2)19(14-16-8-6-5-7-9-16)15-21-20(24)17-10-12-18(13-11-17)23(25)26/h5-13,19H,3-4,14-15H2,1-2H3,(H,21,24)/p+1/t19-/m0/s1