(5-bromanyl-2,4-dimethoxy-phenyl)methyl-phenethyl-(phenylmethyl)azanium

Systemtic Name: (5-bromanyl-2,4-dimethoxy-phenyl)methyl-phenethyl-(phenylmethyl)azanium Openeye Name: benzyl-[(5-bromo-2,4-dimethoxy-phenyl)methyl]-phenethyl-ammonium CAS Name: (5-bromo-2,4-dimethoxyphenyl)methyl-phenethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(5-bromo-2,4-dimethoxyphenyl)methyl]-phenethylazanium Traditional Name: benzyl-(5-bromo-2,4-dimethoxy-benzyl)-phenethyl-ammonium Formula: C24H27BrNO2+ MolecularWeight: 441.38068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C[NH+](CCC2=CC=CC=C2)CC3=CC=CC=C3)Br)OC

Isomeric SMILES

COC1=CC(=C(C=C1C[NH+](CCC2=CC=CC=C2)CC3=CC=CC=C3)Br)OC

InChI

InChI=1S/C24H26BrNO2/c1-27-23-16-24(28-2)22(25)15-21(23)18-26(17-20-11-7-4-8-12-20)14-13-19-9-5-3-6-10-19/h3-12,15-16H,13-14,17-18H2,1-2H3/p+1