[(2R)-1-[(2-cyano-4-nitro-phenyl)amino]-3-methyl-butan-2-yl]-bis(prop-2-enyl)azanium

Systemtic Name: [(2R)-1-[(2-cyano-4-nitro-phenyl)amino]-3-methyl-butan-2-yl]-bis(prop-2-enyl)azanium Openeye Name: diallyl-[(1R)-1-[(2-cyano-4-nitro-anilino)methyl]-2-methyl-propyl]ammonium CAS Name: [(2R)-1-(2-cyano-4-nitroanilino)-3-methylbutan-2-yl]-bis(prop-2-enyl)ammonium IUPAC Name: [(2R)-1-(2-cyano-4-nitroanilino)-3-methylbutan-2-yl]-bis(prop-2-enyl)azanium Traditional Name: diallyl-[(1R)-1-[(2-cyano-4-nitro-anilino)methyl]-2-methyl-propyl]ammonium Formula: C18H25N4O2+ MolecularWeight: 329.4167

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O2/c1-5-9-21(10-6-2)18(14(3)4)13-20-17-8-7-16(22(23)24)11-15(17)12-19/h5-8,11,14,18,20H,1-2,9-10,13H2,3-4H3/p+1/t18-/m0/s1