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

Systemtic Name: (3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-(3-methoxypropyl)azanium Openeye Name: (3-bromo-4-hydroxy-5-methoxy-phenyl)methyl-(3-methoxypropyl)ammonium CAS Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-(3-methoxypropyl)ammonium IUPAC Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-(3-methoxypropyl)azanium Traditional Name: (3-bromo-4-hydroxy-5-methoxy-benzyl)-(3-methoxypropyl)ammonium Formula: C12H19BrNO3+ MolecularWeight: 305.18816

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Descriptors Computed from Structure

Canonical SMILES:

COCCC[NH2+]CC1=CC(=C(C(=C1)Br)O)OC

Isomeric SMILES

COCCC[NH2+]CC1=CC(=C(C(=C1)Br)O)OC

InChI

InChI=1S/C12H18BrNO3/c1-16-5-3-4-14-8-9-6-10(13)12(15)11(7-9)17-2/h6-7,14-15H,3-5,8H2,1-2H3/p+1