(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl-(2-hydroxyethyl)azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl-(2-hydroxyethyl)azanium Openeye Name: (4-allyloxy-3-bromo-5-methoxy-phenyl)methyl-(2-hydroxyethyl)ammonium CAS Name: (3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl-(2-hydroxyethyl)ammonium IUPAC Name: (3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl-(2-hydroxyethyl)azanium Traditional Name: (4-allyloxy-3-bromo-5-methoxy-benzyl)-(2-hydroxyethyl)ammonium Formula: C13H19BrNO3+ MolecularWeight: 317.19886

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CCO)Br)OCC=C

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CCO)Br)OCC=C

InChI

InChI=1S/C13H18BrNO3/c1-3-6-18-13-11(14)7-10(8-12(13)17-2)9-15-4-5-16/h3,7-8,15-16H,1,4-6,9H2,2H3/p+1