(5-bromanyl-3-methoxy-2-oxidanyl-phenyl)methyl-(2-hydroxyethyl)-propyl-azanium

Systemtic Name: (5-bromanyl-3-methoxy-2-oxidanyl-phenyl)methyl-(2-hydroxyethyl)-propyl-azanium Openeye Name: (5-bromo-2-hydroxy-3-methoxy-phenyl)methyl-(2-hydroxyethyl)-propyl-ammonium CAS Name: (5-bromo-2-hydroxy-3-methoxyphenyl)methyl-(2-hydroxyethyl)-propylammonium IUPAC Name: (5-bromo-2-hydroxy-3-methoxyphenyl)methyl-(2-hydroxyethyl)-propylazanium Traditional Name: (5-bromo-2-hydroxy-3-methoxy-benzyl)-(2-hydroxyethyl)-propyl-ammonium Formula: C13H21BrNO3+ MolecularWeight: 319.21474

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCO)CC1=CC(=CC(=C1O)OC)Br

Isomeric SMILES

CCC[NH+](CCO)CC1=CC(=CC(=C1O)OC)Br

InChI

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