(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl-(furan-2-ylmethyl)azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl-(furan-2-ylmethyl)azanium Openeye Name: (4-benzyloxy-3-bromo-5-methoxy-phenyl)methyl-(2-furylmethyl)ammonium CAS Name: (3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-(2-furanylmethyl)ammonium IUPAC Name: (3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-(furan-2-ylmethyl)azanium Traditional Name: (4-benzoxy-3-bromo-5-methoxy-benzyl)-(2-furfuryl)ammonium Formula: C20H21BrNO3+ MolecularWeight: 403.28964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CC2=CC=CO2)Br)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CC2=CC=CO2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C20H20BrNO3/c1-23-19-11-16(12-22-13-17-8-5-9-24-17)10-18(21)20(19)25-14-15-6-3-2-4-7-15/h2-11,22H,12-14H2,1H3/p+1