2-[[(3R)-3-(5-bromanyl-2-oxidanyl-phenyl)-3-phenyl-propanoyl]amino]ethyl-diethyl-azanium

Systemtic Name: 2-[[(3R)-3-(5-bromanyl-2-oxidanyl-phenyl)-3-phenyl-propanoyl]amino]ethyl-diethyl-azanium Openeye Name: 2-[[(3R)-3-(5-bromo-2-hydroxy-phenyl)-3-phenyl-propanoyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[(3R)-3-(5-bromo-2-hydroxyphenyl)-1-oxo-3-phenylpropyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[(3R)-3-(5-bromo-2-hydroxyphenyl)-3-phenylpropanoyl]amino]ethyl-diethylazanium Traditional Name: 2-[[(3R)-3-(5-bromo-2-hydroxy-phenyl)-3-phenyl-propanoyl]amino]ethyl-diethyl-ammonium Formula: C21H28BrN2O2+ MolecularWeight: 420.36322

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)CC(C1=CC=CC=C1)C2=C(C=CC(=C2)Br)O

Isomeric SMILES

CC[NH+](CC)CCNC(=O)C[C@H](C1=CC=CC=C1)C2=C(C=CC(=C2)Br)O

InChI

InChI=1S/C21H27BrN2O2/c1-3-24(4-2)13-12-23-21(26)15-18(16-8-6-5-7-9-16)19-14-17(22)10-11-20(19)25/h5-11,14,18,25H,3-4,12-13,15H2,1-2H3,(H,23,26)/p+1/t18-/m1/s1