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

Systemtic Name: (3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(4-benzyloxy-3-bromo-5-methoxy-phenyl)methyl]ammonium CAS Name: (3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]azanium Traditional Name: (4-benzoxy-3-bromo-5-methoxy-benzyl)-benzyl-ammonium Formula: C22H23BrNO2+ MolecularWeight: 413.32752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CC2=CC=CC=C2)Br)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CC2=CC=CC=C2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C22H22BrNO2/c1-25-21-13-19(15-24-14-17-8-4-2-5-9-17)12-20(23)22(21)26-16-18-10-6-3-7-11-18/h2-13,24H,14-16H2,1H3/p+1