(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-(2-hydroxyethyl)-propyl-azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-(2-hydroxyethyl)-propyl-azanium Openeye Name: (3-bromo-4-hydroxy-5-methoxy-phenyl)methyl-(2-hydroxyethyl)-propyl-ammonium CAS Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-(2-hydroxyethyl)-propylammonium IUPAC Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-(2-hydroxyethyl)-propylazanium Traditional Name: (3-bromo-4-hydroxy-5-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(=C(C(=C1)Br)O)OC

Isomeric SMILES

CCC[NH+](CCO)CC1=CC(=C(C(=C1)Br)O)OC

InChI

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