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

Systemtic Name: [3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl-(2-hydroxyethyl)azanium Openeye Name: [3-bromo-5-methoxy-4-(3-pyridylmethoxy)phenyl]methyl-(2-hydroxyethyl)ammonium CAS Name: [3-bromo-5-methoxy-4-(3-pyridinylmethoxy)phenyl]methyl-(2-hydroxyethyl)ammonium IUPAC Name: [3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl-(2-hydroxyethyl)azanium Traditional Name: [3-bromo-5-methoxy-4-(3-pyridylmethoxy)benzyl]-(2-hydroxyethyl)ammonium Formula: C16H20BrN2O3+ MolecularWeight: 368.2456

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CCO)Br)OCC2=CN=CC=C2

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CCO)Br)OCC2=CN=CC=C2

InChI

InChI=1S/C16H19BrN2O3/c1-21-15-8-13(10-19-5-6-20)7-14(17)16(15)22-11-12-3-2-4-18-9-12/h2-4,7-9,19-20H,5-6,10-11H2,1H3/p+1