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

Systemtic Name: [(1S)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]-(pyridin-4-ylmethyl)azanium Openeye Name: [(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]-(4-pyridylmethyl)ammonium CAS Name: [(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: [(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]-(pyridin-4-ylmethyl)azanium Traditional Name: [(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]-(4-pyridylmethyl)ammonium Formula: C15H18BrN2O+ MolecularWeight: 322.22022

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=CC(=C1)Br)O)[NH2+]CC2=CC=NC=C2

Isomeric SMILES

CC[C@@H](C1=C(C=CC(=C1)Br)O)[NH2+]CC2=CC=NC=C2

InChI

InChI=1S/C15H17BrN2O/c1-2-14(13-9-12(16)3-4-15(13)19)18-10-11-5-7-17-8-6-11/h3-9,14,18-19H,2,10H2,1H3/p+1/t14-/m0/s1