[(2S)-1-[(3-cyano-5-nitro-pyridin-2-yl)amino]-3-phenyl-propan-2-yl]-diethyl-azanium

Systemtic Name: [(2S)-1-[(3-cyano-5-nitro-pyridin-2-yl)amino]-3-phenyl-propan-2-yl]-diethyl-azanium Openeye Name: [(1S)-1-benzyl-2-[(3-cyano-5-nitro-2-pyridyl)amino]ethyl]-diethyl-ammonium CAS Name: [(2S)-1-[(3-cyano-5-nitro-2-pyridinyl)amino]-3-phenylpropan-2-yl]-diethylammonium IUPAC Name: [(2S)-1-[(3-cyano-5-nitropyridin-2-yl)amino]-3-phenylpropan-2-yl]-diethylazanium Traditional Name: [(1S)-1-benzyl-2-[(3-cyano-5-nitro-2-pyridyl)amino]ethyl]-diethyl-ammonium Formula: C19H24N5O2+ MolecularWeight: 354.42616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CC1=CC=CC=C1)CNC2=NC=C(C=C2C#N)[N+](=O)[O-]

Isomeric SMILES

CC[NH+](CC)[C@@H](CC1=CC=CC=C1)CNC2=NC=C(C=C2C#N)[N+](=O)[O-]

InChI

InChI=1S/C19H23N5O2/c1-3-23(4-2)17(10-15-8-6-5-7-9-15)13-21-19-16(12-20)11-18(14-22-19)24(25)26/h5-9,11,14,17H,3-4,10,13H2,1-2H3,(H,21,22)/p+1/t17-/m0/s1