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

Systemtic Name: (3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl-(pyridin-3-ylmethyl)azanium Openeye Name: (4-benzyloxy-3-bromo-5-methoxy-phenyl)methyl-(3-pyridylmethyl)ammonium CAS Name: (3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-(3-pyridinylmethyl)ammonium IUPAC Name: (3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium Traditional Name: (4-benzoxy-3-bromo-5-methoxy-benzyl)-(3-pyridylmethyl)ammonium Formula: C21H22BrN2O2+ MolecularWeight: 414.31558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN2O2/c1-25-20-11-18(14-24-13-17-8-5-9-23-12-17)10-19(22)21(20)26-15-16-6-3-2-4-7-16/h2-12,24H,13-15H2,1H3/p+1