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

Systemtic Name: [(1S)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]-(2-dimethylaminoethyl)azanium Openeye Name: [(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]-(2-dimethylaminoethyl)ammonium CAS Name: [(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]-(2-dimethylaminoethyl)ammonium IUPAC Name: [(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]-(2-dimethylaminoethyl)azanium Traditional Name: [(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]-(2-dimethylaminoethyl)ammonium Formula: C13H22BrN2O+ MolecularWeight: 302.23058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21BrN2O/c1-4-12(15-7-8-16(2)3)11-9-10(14)5-6-13(11)17/h5-6,9,12,15,17H,4,7-8H2,1-3H3/p+1/t12-/m0/s1