dodecyl-dimethyl-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]azanium bromide

Systemtic Name: dodecyl-dimethyl-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]azanium bromide Openeye Name: dodecyl-dimethyl-[2-(4-nitroanilino)-2-oxo-ethyl]ammonium bromide CAS Name: dodecyl-dimethyl-[2-(4-nitroanilino)-2-oxoethyl]ammonium bromide IUPAC Name: dodecyl-dimethyl-[2-(4-nitroanilino)-2-oxoethyl]azanium bromide Traditional Name: [2-keto-2-(4-nitroanilino)ethyl]-lauryl-dimethyl-ammonium bromide Formula: C22H38BrN3O3 MolecularWeight: 472.45942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)CC(=O)NC1=CC=C(C=C1)[N+](=O)[O-].[Br-]

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)CC(=O)NC1=CC=C(C=C1)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C22H37N3O3.BrH/c1-4-5-6-7-8-9-10-11-12-13-18-25(2,3)19-22(26)23-20-14-16-21(17-15-20)24(27)28;/h14-17H,4-13,18-19H2,1-3H3;1H