2-[(4-aminophenyl)amino]ethyl-(2-methylnonadecan-2-yl)azanium bromide

Systemtic Name: 2-[(4-aminophenyl)amino]ethyl-(2-methylnonadecan-2-yl)azanium bromide Openeye Name: 2-(4-aminoanilino)ethyl-(1,1-dimethyloctadecyl)ammonium bromide CAS Name: 2-(4-aminoanilino)ethyl-(2-methylnonadecan-2-yl)ammonium bromide IUPAC Name: 2-(4-aminoanilino)ethyl-(2-methylnonadecan-2-yl)azanium bromide Traditional Name: 2-(4-aminoanilino)ethyl-(1,1-dimethyloctadecyl)ammonium bromide Formula: C28H54BrN3 MolecularWeight: 512.65246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H53N3.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-28(2,3)31-25-24-30-27-21-19-26(29)20-22-27;/h19-22,30-31H,4-18,23-25,29H2,1-3H3;1H