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

Systemtic Name: diethyl-[(2S)-1-[(3-methyl-4-nitro-phenyl)carbonylamino]-3-phenyl-propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-[(3-methyl-4-nitro-benzoyl)amino]ethyl]-diethyl-ammonium CAS Name: diethyl-[(2S)-1-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]-3-phenylpropan-2-yl]ammonium IUPAC Name: diethyl-[(2S)-1-[(3-methyl-4-nitrobenzoyl)amino]-3-phenylpropan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-[(3-methyl-4-nitro-benzoyl)amino]ethyl]-diethyl-ammonium Formula: C21H28N3O3+ MolecularWeight: 370.46532

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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-])C

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3/c1-4-23(5-2)19(14-17-9-7-6-8-10-17)15-22-21(25)18-11-12-20(24(26)27)16(3)13-18/h6-13,19H,4-5,14-15H2,1-3H3,(H,22,25)/p+1/t19-/m0/s1