[(1S)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]-propan-2-yl-azanium

Systemtic Name: [(1S)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]-propan-2-yl-azanium Openeye Name: [(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]-isopropyl-ammonium CAS Name: [(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]-propan-2-ylammonium IUPAC Name: [(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]-propan-2-ylazanium Traditional Name: [(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]-isopropyl-ammonium Formula: C12H19BrNO+ MolecularWeight: 273.18936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18BrNO/c1-4-11(14-8(2)3)10-7-9(13)5-6-12(10)15/h5-8,11,14-15H,4H2,1-3H3/p+1/t11-/m0/s1