(5-bromanyl-2-methoxy-phenyl)methyl-phenethyl-(phenylmethyl)azanium

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl-phenethyl-(phenylmethyl)azanium Openeye Name: benzyl-[(5-bromo-2-methoxy-phenyl)methyl]-phenethyl-ammonium CAS Name: (5-bromo-2-methoxyphenyl)methyl-phenethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(5-bromo-2-methoxyphenyl)methyl]-phenethylazanium Traditional Name: benzyl-(5-bromo-2-methoxy-benzyl)-phenethyl-ammonium Formula: C23H25BrNO+ MolecularWeight: 411.3547

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C[NH+](CCC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C[NH+](CCC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C23H24BrNO/c1-26-23-13-12-22(24)16-21(23)18-25(17-20-10-6-3-7-11-20)15-14-19-8-4-2-5-9-19/h2-13,16H,14-15,17-18H2,1H3/p+1