(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-(phenylmethyl)azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methyl]ammonium CAS Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]azanium Traditional Name: benzyl-(3-bromo-4-hydroxy-5-methoxy-benzyl)ammonium Formula: C15H17BrNO2+ MolecularWeight: 323.20498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16BrNO2/c1-19-14-8-12(7-13(16)15(14)18)10-17-9-11-5-3-2-4-6-11/h2-8,17-18H,9-10H2,1H3/p+1