[4-(hexadecylamino)phenyl]methyl ethanoate hydrobromide

Systemtic Name: [4-(hexadecylamino)phenyl]methyl ethanoate hydrobromide Openeye Name: [4-(hexadecylamino)phenyl]methyl acetate hydrobromide CAS Name: acetic acid [4-(hexadecylamino)phenyl]methyl ester hydrobromide IUPAC Name: [4-(hexadecylamino)phenyl]methyl acetate hydrobromide Traditional Name: acetic acid [4-(cetylamino)benzyl] ester hydrobromide Formula: C25H44BrNO2 MolecularWeight: 470.52636

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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