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

Systemtic Name: (3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-(3-ethenoxypropyl)azanium Openeye Name: (3-bromo-4-hydroxy-5-methoxy-phenyl)methyl-(3-vinyloxypropyl)ammonium CAS Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-(3-ethenoxypropyl)ammonium IUPAC Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-(3-ethenoxypropyl)azanium Traditional Name: (3-bromo-4-hydroxy-5-methoxy-benzyl)-(3-vinyloxypropyl)ammonium Formula: C13H19BrNO3+ MolecularWeight: 317.19886

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CCCOC=C)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CCCOC=C)Br)O

InChI

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