2-methylheptadecan-2-yl-[2-[(2-nitrophenyl)amino]ethyl]azanium iodide

Systemtic Name: 2-methylheptadecan-2-yl-[2-[(2-nitrophenyl)amino]ethyl]azanium iodide Openeye Name: 1,1-dimethylhexadecyl-[2-(2-nitroanilino)ethyl]ammonium iodide CAS Name: 2-methylheptadecan-2-yl-[2-(2-nitroanilino)ethyl]ammonium iodide IUPAC Name: 2-methylheptadecan-2-yl-[2-(2-nitroanilino)ethyl]azanium iodide Traditional Name: 1,1-dimethylhexadecyl-[2-(2-nitroanilino)ethyl]ammonium iodide Formula: C26H48IN3O2 MolecularWeight: 561.58269

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(C)(C)[NH2+]CCNC1=CC=CC=C1[N+](=O)[O-].[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(C)(C)[NH2+]CCNC1=CC=CC=C1[N+](=O)[O-].[I-]

InChI

InChI=1S/C26H47N3O2.HI/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-21-26(2,3)28-23-22-27-24-19-16-17-20-25(24)29(30)31;/h16-17,19-20,27-28H,4-15,18,21-23H2,1-3H3;1H