(2S)-1-[2,4-bis(bromanyl)phenoxy]-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-[2,4-bis(bromanyl)phenoxy]-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-(2,4-dibromophenoxy)-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(2,4-dibromophenoxy)-3-(4-ethyl-1-piperazin-4-iumyl)-2-propanol IUPAC Name: (2S)-1-(2,4-dibromophenoxy)-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(2,4-dibromophenoxy)-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol Formula: C15H23Br2N2O2+ MolecularWeight: 423.16332

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC(COC2=C(C=C(C=C2)Br)Br)O

Isomeric SMILES

CC[NH+]1CCN(CC1)C[C@@H](COC2=C(C=C(C=C2)Br)Br)O

InChI

InChI=1S/C15H22Br2N2O2/c1-2-18-5-7-19(8-6-18)10-13(20)11-21-15-4-3-12(16)9-14(15)17/h3-4,9,13,20H,2,5-8,10-11H2,1H3/p+1/t13-/m0/s1