3-[(2-cyano-4-nitro-phenyl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(2-cyano-4-nitro-phenyl)amino]propyl-dimethyl-azanium Openeye Name: 3-(2-cyano-4-nitro-anilino)propyl-dimethyl-ammonium CAS Name: 3-(2-cyano-4-nitroanilino)propyl-dimethylammonium IUPAC Name: 3-(2-cyano-4-nitroanilino)propyl-dimethylazanium Traditional Name: 3-(2-cyano-4-nitro-anilino)propyl-dimethyl-ammonium Formula: C12H17N4O2+ MolecularWeight: 249.28898

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC1=C(C=C(C=C1)[N+](=O)[O-])C#N

Isomeric SMILES

C[NH+](C)CCCNC1=C(C=C(C=C1)[N+](=O)[O-])C#N

InChI

InChI=1S/C12H16N4O2/c1-15(2)7-3-6-14-12-5-4-11(16(17)18)8-10(12)9-13/h4-5,8,14H,3,6-7H2,1-2H3/p+1