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

Systemtic Name: [3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl-(pyridin-4-ylmethyl)azanium Openeye Name: [3-bromo-5-methoxy-4-(3-pyridylmethoxy)phenyl]methyl-(4-pyridylmethyl)ammonium CAS Name: [3-bromo-5-methoxy-4-(3-pyridinylmethoxy)phenyl]methyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: [3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl-(pyridin-4-ylmethyl)azanium Traditional Name: [3-bromo-5-methoxy-4-(3-pyridylmethoxy)benzyl]-(4-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=NC=C2)Br)OCC3=CN=CC=C3

Isomeric SMILES

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

InChI

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