[3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl-(pyridin-2-ylmethyl)azanium

Systemtic Name: [3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl-(pyridin-2-ylmethyl)azanium Openeye Name: [3-bromo-5-methoxy-4-(3-pyridylmethoxy)phenyl]methyl-(2-pyridylmethyl)ammonium CAS Name: [3-bromo-5-methoxy-4-(3-pyridinylmethoxy)phenyl]methyl-(2-pyridinylmethyl)ammonium IUPAC Name: [3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl-(pyridin-2-ylmethyl)azanium Traditional Name: [3-bromo-5-methoxy-4-(3-pyridylmethoxy)benzyl]-(2-pyridylmethyl)ammonium Formula: C20H21BrN3O2+ MolecularWeight: 415.30364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CC2=CC=CC=N2)Br)OCC3=CN=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CC2=CC=CC=N2)Br)OCC3=CN=CC=C3

InChI

InChI=1S/C20H20BrN3O2/c1-25-19-10-16(12-23-13-17-6-2-3-8-24-17)9-18(21)20(19)26-14-15-5-4-7-22-11-15/h2-11,23H,12-14H2,1H3/p+1