[(1S)-2-azaniumyl-1-(5-bromanyl-3-methoxy-2-oxidanyl-phenyl)ethyl]-diethyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-(5-bromanyl-3-methoxy-2-oxidanyl-phenyl)ethyl]-diethyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(5-bromo-2-hydroxy-3-methoxy-phenyl)ethyl]-diethyl-ammonium CAS Name: [(1S)-2-ammonio-1-(5-bromo-2-hydroxy-3-methoxyphenyl)ethyl]-diethylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(5-bromo-2-hydroxy-3-methoxyphenyl)ethyl]-diethylazanium Traditional Name: [(1S)-2-ammonio-1-(5-bromo-2-hydroxy-3-methoxy-phenyl)ethyl]-diethyl-ammonium Formula: C13H23BrN2O2+2 MolecularWeight: 319.23792

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(C[NH3+])C1=CC(=CC(=C1O)OC)Br

Isomeric SMILES

CC[NH+](CC)[C@H](C[NH3+])C1=CC(=CC(=C1O)OC)Br

InChI

InChI=1S/C13H21BrN2O2/c1-4-16(5-2)11(8-15)10-6-9(14)7-12(18-3)13(10)17/h6-7,11,17H,4-5,8,15H2,1-3H3/p+2/t11-/m1/s1