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

Systemtic Name: (3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-(3-ethoxypropyl)azanium Openeye Name: (3-bromo-4-hydroxy-5-methoxy-phenyl)methyl-(3-ethoxypropyl)ammonium CAS Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-(3-ethoxypropyl)ammonium IUPAC Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-(3-ethoxypropyl)azanium Traditional Name: (3-bromo-4-hydroxy-5-methoxy-benzyl)-(3-ethoxypropyl)ammonium Formula: C13H21BrNO3+ MolecularWeight: 319.21474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20BrNO3/c1-3-18-6-4-5-15-9-10-7-11(14)13(16)12(8-10)17-2/h7-8,15-16H,3-6,9H2,1-2H3/p+1