3-(4-bromanyl-2-ethyl-phenoxy)propyl-(2-hydroxyethyl)azanium

Systemtic Name: 3-(4-bromanyl-2-ethyl-phenoxy)propyl-(2-hydroxyethyl)azanium Openeye Name: 3-(4-bromo-2-ethyl-phenoxy)propyl-(2-hydroxyethyl)ammonium CAS Name: 3-(4-bromo-2-ethylphenoxy)propyl-(2-hydroxyethyl)ammonium IUPAC Name: 3-(4-bromo-2-ethylphenoxy)propyl-(2-hydroxyethyl)azanium Traditional Name: 3-(4-bromo-2-ethyl-phenoxy)propyl-(2-hydroxyethyl)ammonium Formula: C13H21BrNO2+ MolecularWeight: 303.21534

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)OCCC[NH2+]CCO

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)OCCC[NH2+]CCO

InChI

InChI=1S/C13H20BrNO2/c1-2-11-10-12(14)4-5-13(11)17-9-3-6-15-7-8-16/h4-5,10,15-16H,2-3,6-9H2,1H3/p+1