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

Systemtic Name: (3-bromanyl-4,5-dimethoxy-phenyl)methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(3-bromo-4,5-dimethoxy-phenyl)methyl]ammonium CAS Name: (3-bromo-4,5-dimethoxyphenyl)methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(3-bromo-4,5-dimethoxyphenyl)methyl]azanium Traditional Name: benzyl-(3-bromo-4,5-dimethoxy-benzyl)ammonium Formula: C16H19BrNO2+ MolecularWeight: 337.23156

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CC2=CC=CC=C2)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CC2=CC=CC=C2)Br)OC

InChI

InChI=1S/C16H18BrNO2/c1-19-15-9-13(8-14(17)16(15)20-2)11-18-10-12-6-4-3-5-7-12/h3-9,18H,10-11H2,1-2H3/p+1