[(1S)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]-[(1R)-1-pyridin-4-ylethyl]azanium

Systemtic Name: [(1S)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]-[(1R)-1-pyridin-4-ylethyl]azanium Openeye Name: [(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]-[(1R)-1-(4-pyridyl)ethyl]ammonium CAS Name: [(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]-[(1R)-1-pyridin-4-ylethyl]ammonium IUPAC Name: [(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]-[(1R)-1-pyridin-4-ylethyl]azanium Traditional Name: [(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]-[(1R)-1-(4-pyridyl)ethyl]ammonium Formula: C16H20BrN2O+ MolecularWeight: 336.2468

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=CC(=C1)Br)O)[NH2+]C(C)C2=CC=NC=C2

Isomeric SMILES

CC[C@@H](C1=C(C=CC(=C1)Br)O)[NH2+][C@H](C)C2=CC=NC=C2

InChI

InChI=1S/C16H19BrN2O/c1-3-15(14-10-13(17)4-5-16(14)20)19-11(2)12-6-8-18-9-7-12/h4-11,15,19-20H,3H2,1-2H3/p+1/t11-,15+/m1/s1