[4-(hexadecylamino)phenyl]methyl ethanoate bromide

Systemtic Name: [4-(hexadecylamino)phenyl]methyl ethanoate bromide Openeye Name: [4-(hexadecylamino)phenyl]methyl acetate bromide CAS Name: acetic acid [4-(hexadecylamino)phenyl]methyl ester bromide IUPAC Name: [4-(hexadecylamino)phenyl]methyl acetate bromide Traditional Name: acetic acid [4-(cetylamino)benzyl] ester bromide Formula: C25H43BrNO2- MolecularWeight: 469.51842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)COC(=O)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)COC(=O)C.[Br-]

InChI

InChI=1S/C25H43NO2.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-26-25-19-17-24(18-20-25)22-28-23(2)27;/h17-20,26H,3-16,21-22H2,1-2H3;1H/p-1