2-methylheptadecan-2-yl-[2-[(5-methyl-2-nitro-phenyl)amino]ethyl]azanium bromide

Systemtic Name: 2-methylheptadecan-2-yl-[2-[(5-methyl-2-nitro-phenyl)amino]ethyl]azanium bromide Openeye Name: 1,1-dimethylhexadecyl-[2-(5-methyl-2-nitro-anilino)ethyl]ammonium bromide CAS Name: 2-methylheptadecan-2-yl-[2-(5-methyl-2-nitroanilino)ethyl]ammonium bromide IUPAC Name: 2-methylheptadecan-2-yl-[2-(5-methyl-2-nitroanilino)ethyl]azanium bromide Traditional Name: 1,1-dimethylhexadecyl-[2-(5-methyl-2-nitro-anilino)ethyl]ammonium bromide Formula: C27H50BrN3O2 MolecularWeight: 528.6088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H49N3O2.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27(3,4)29-22-21-28-25-23-24(2)18-19-26(25)30(31)32;/h18-19,23,28-29H,5-17,20-22H2,1-4H3;1H