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

Systemtic Name: [(1S)-2-azaniumyl-1-(5-bromanyl-2-methoxy-phenyl)ethyl]-diethyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(5-bromo-2-methoxy-phenyl)ethyl]-diethyl-ammonium CAS Name: [(1S)-2-ammonio-1-(5-bromo-2-methoxyphenyl)ethyl]-diethylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(5-bromo-2-methoxyphenyl)ethyl]-diethylazanium Traditional Name: [(1S)-2-ammonio-1-(5-bromo-2-methoxy-phenyl)ethyl]-diethyl-ammonium Formula: C13H23BrN2O+2 MolecularWeight: 303.23852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21BrN2O/c1-4-16(5-2)12(9-15)11-8-10(14)6-7-13(11)17-3/h6-8,12H,4-5,9,15H2,1-3H3/p+2/t12-/m1/s1