2-[(4-cyano-2-nitro-phenyl)amino]ethyl-(2-methylnonadecan-2-yl)azanium iodide

Systemtic Name: 2-[(4-cyano-2-nitro-phenyl)amino]ethyl-(2-methylnonadecan-2-yl)azanium iodide Openeye Name: 2-(4-cyano-2-nitro-anilino)ethyl-(1,1-dimethyloctadecyl)ammonium iodide CAS Name: 2-(4-cyano-2-nitroanilino)ethyl-(2-methylnonadecan-2-yl)ammonium iodide IUPAC Name: 2-(4-cyano-2-nitroanilino)ethyl-(2-methylnonadecan-2-yl)azanium iodide Traditional Name: 2-(4-cyano-2-nitro-anilino)ethyl-(1,1-dimethyloctadecyl)ammonium iodide Formula: C29H51IN4O2 MolecularWeight: 614.64531

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(C)(C)[NH2+]CCNC1=C(C=C(C=C1)C#N)[N+](=O)[O-].[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(C)(C)[NH2+]CCNC1=C(C=C(C=C1)C#N)[N+](=O)[O-].[I-]

InChI

InChI=1S/C29H50N4O2.HI/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-29(2,3)32-23-22-31-27-20-19-26(25-30)24-28(27)33(34)35;/h19-20,24,31-32H,4-18,21-23H2,1-3H3;1H