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

Systemtic Name: (3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-(pyridin-4-ylmethyl)azanium Openeye Name: (3-bromo-4-hydroxy-5-methoxy-phenyl)methyl-(4-pyridylmethyl)ammonium CAS Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-(pyridin-4-ylmethyl)azanium Traditional Name: (3-bromo-4-hydroxy-5-methoxy-benzyl)-(4-pyridylmethyl)ammonium Formula: C14H16BrN2O2+ MolecularWeight: 324.19304

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CC2=CC=NC=C2)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CC2=CC=NC=C2)Br)O

InChI

InChI=1S/C14H15BrN2O2/c1-19-13-7-11(6-12(15)14(13)18)9-17-8-10-2-4-16-5-3-10/h2-7,17-18H,8-9H2,1H3/p+1