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

Systemtic Name: 2-[(1S)-2-azaniumyl-1-(diethylazaniumyl)ethyl]-6-bromanyl-4-chloranyl-phenolate Openeye Name: 2-[(1S)-2-azaniumyl-1-(diethylammonio)ethyl]-6-bromo-4-chloro-phenolate CAS Name: 2-[(1S)-2-ammonio-1-(diethylammonio)ethyl]-6-bromo-4-chlorophenolate IUPAC Name: 2-[(1S)-2-azaniumyl-1-(diethylazaniumyl)ethyl]-6-bromo-4-chlorophenolate Traditional Name: 2-[(1S)-2-ammonio-1-(diethylammonio)ethyl]-6-bromo-4-chloro-phenolate Formula: C12H19BrClN2O+ MolecularWeight: 322.64906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18BrClN2O/c1-3-16(4-2)11(7-15)9-5-8(14)6-10(13)12(9)17/h5-6,11,17H,3-4,7,15H2,1-2H3/p+1/t11-/m1/s1