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

Systemtic Name: (2S)-1-[2,4-bis(bromanyl)phenoxy]-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-(2,4-dibromophenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(2,4-dibromophenoxy)-3-(4-phenyl-1-piperazin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-(2,4-dibromophenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(2,4-dibromophenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Formula: C19H23Br2N2O2+ MolecularWeight: 471.20612

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COC2=C(C=C(C=C2)Br)Br)O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1C[C@@H](COC2=C(C=C(C=C2)Br)Br)O)C3=CC=CC=C3

InChI

InChI=1S/C19H22Br2N2O2/c20-15-6-7-19(18(21)12-15)25-14-17(24)13-22-8-10-23(11-9-22)16-4-2-1-3-5-16/h1-7,12,17,24H,8-11,13-14H2/p+1/t17-/m0/s1