[(2R)-1-[(2-cyano-4-nitro-phenyl)amino]-3-ethyl-pentan-2-yl]-dimethyl-azanium

Systemtic Name: [(2R)-1-[(2-cyano-4-nitro-phenyl)amino]-3-ethyl-pentan-2-yl]-dimethyl-azanium Openeye Name: [(1R)-1-[(2-cyano-4-nitro-anilino)methyl]-2-ethyl-butyl]-dimethyl-ammonium CAS Name: [(2R)-1-(2-cyano-4-nitroanilino)-3-ethylpentan-2-yl]-dimethylammonium IUPAC Name: [(2R)-1-(2-cyano-4-nitroanilino)-3-ethylpentan-2-yl]-dimethylazanium Traditional Name: [(1R)-1-[(2-cyano-4-nitro-anilino)methyl]-2-ethyl-butyl]-dimethyl-ammonium Formula: C16H25N4O2+ MolecularWeight: 305.3953

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(CNC1=C(C=C(C=C1)[N+](=O)[O-])C#N)[NH+](C)C

Isomeric SMILES

CCC(CC)[C@H](CNC1=C(C=C(C=C1)[N+](=O)[O-])C#N)[NH+](C)C

InChI

InChI=1S/C16H24N4O2/c1-5-12(6-2)16(19(3)4)11-18-15-8-7-14(20(21)22)9-13(15)10-17/h7-9,12,16,18H,5-6,11H2,1-4H3/p+1/t16-/m0/s1