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

Systemtic Name: diethyl-[(2S)-1-[(5-nitropyridin-2-yl)amino]-3-phenyl-propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-[(5-nitro-2-pyridyl)amino]ethyl]-diethyl-ammonium CAS Name: diethyl-[(2S)-1-[(5-nitro-2-pyridinyl)amino]-3-phenylpropan-2-yl]ammonium IUPAC Name: diethyl-[(2S)-1-[(5-nitropyridin-2-yl)amino]-3-phenylpropan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-[(5-nitro-2-pyridyl)amino]ethyl]-diethyl-ammonium Formula: C18H25N4O2+ MolecularWeight: 329.4167

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CC1=CC=CC=C1)CNC2=NC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC[NH+](CC)[C@@H](CC1=CC=CC=C1)CNC2=NC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H24N4O2/c1-3-21(4-2)17(12-15-8-6-5-7-9-15)14-20-18-11-10-16(13-19-18)22(23)24/h5-11,13,17H,3-4,12,14H2,1-2H3,(H,19,20)/p+1/t17-/m0/s1