4-[(1S)-2-azaniumyl-1-(diethylazaniumyl)ethyl]-2-bromanyl-6-methoxy-phenolate

Systemtic Name: 4-[(1S)-2-azaniumyl-1-(diethylazaniumyl)ethyl]-2-bromanyl-6-methoxy-phenolate Openeye Name: 4-[(1S)-2-azaniumyl-1-(diethylammonio)ethyl]-2-bromo-6-methoxy-phenolate CAS Name: 4-[(1S)-2-ammonio-1-(diethylammonio)ethyl]-2-bromo-6-methoxyphenolate IUPAC Name: 4-[(1S)-2-azaniumyl-1-(diethylazaniumyl)ethyl]-2-bromo-6-methoxyphenolate Traditional Name: 4-[(1S)-2-ammonio-1-(diethylammonio)ethyl]-2-bromo-6-methoxy-phenolate Formula: C13H22BrN2O2+ MolecularWeight: 318.22998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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