[(1S)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]-(3-oxidanylpropyl)azanium

Systemtic Name: [(1S)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]-(3-oxidanylpropyl)azanium Openeye Name: [(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]-(3-hydroxypropyl)ammonium CAS Name: [(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]-(3-hydroxypropyl)ammonium IUPAC Name: [(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]-(3-hydroxypropyl)azanium Traditional Name: [(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]-(3-hydroxypropyl)ammonium Formula: C12H19BrNO2+ MolecularWeight: 289.18876

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=CC(=C1)Br)O)[NH2+]CCCO

Isomeric SMILES

CC[C@@H](C1=C(C=CC(=C1)Br)O)[NH2+]CCCO

InChI

InChI=1S/C12H18BrNO2/c1-2-11(14-6-3-7-15)10-8-9(13)4-5-12(10)16/h4-5,8,11,14-16H,2-3,6-7H2,1H3/p+1/t11-/m0/s1