[(2S)-1-[(3-cyano-5-nitro-pyridin-2-yl)amino]-4-methyl-pentan-2-yl]-diethyl-azanium

Systemtic Name: [(2S)-1-[(3-cyano-5-nitro-pyridin-2-yl)amino]-4-methyl-pentan-2-yl]-diethyl-azanium Openeye Name: [(1S)-1-[[(3-cyano-5-nitro-2-pyridyl)amino]methyl]-3-methyl-butyl]-diethyl-ammonium CAS Name: [(2S)-1-[(3-cyano-5-nitro-2-pyridinyl)amino]-4-methylpentan-2-yl]-diethylammonium IUPAC Name: [(2S)-1-[(3-cyano-5-nitropyridin-2-yl)amino]-4-methylpentan-2-yl]-diethylazanium Traditional Name: [(1S)-1-[[(3-cyano-5-nitro-2-pyridyl)amino]methyl]-3-methyl-butyl]-diethyl-ammonium Formula: C16H26N5O2+ MolecularWeight: 320.40994

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CC(C)C)CNC1=NC=C(C=C1C#N)[N+](=O)[O-]

Isomeric SMILES

CC[NH+](CC)[C@@H](CC(C)C)CNC1=NC=C(C=C1C#N)[N+](=O)[O-]

InChI

InChI=1S/C16H25N5O2/c1-5-20(6-2)14(7-12(3)4)10-18-16-13(9-17)8-15(11-19-16)21(22)23/h8,11-12,14H,5-7,10H2,1-4H3,(H,18,19)/p+1/t14-/m0/s1