(2R)-1-(6-bromanylnaphthalen-2-yl)oxy-3-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propan-2-ol

Systemtic Name: (2R)-1-(6-bromanylnaphthalen-2-yl)oxy-3-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propan-2-ol Openeye Name: (2R)-1-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-3-[(6-bromo-2-naphthyl)oxy]propan-2-ol CAS Name: (2R)-1-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-3-[(6-bromo-2-naphthalenyl)oxy]-2-propanol IUPAC Name: (2R)-1-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-3-(6-bromonaphthalen-2-yl)oxypropan-2-ol Traditional Name: (2R)-1-(4-besylpiperazin-1-ium-1-yl)-3-(6-bromo-2-naphthoxy)propan-2-ol Formula: C23H26BrN2O4S+ MolecularWeight: 506.43254

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COC2=CC3=C(C=C2)C=C(C=C3)Br)O)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1C[C@H](COC2=CC3=C(C=C2)C=C(C=C3)Br)O)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H25BrN2O4S/c24-20-8-6-19-15-22(9-7-18(19)14-20)30-17-21(27)16-25-10-12-26(13-11-25)31(28,29)23-4-2-1-3-5-23/h1-9,14-15,21,27H,10-13,16-17H2/p+1/t21-/m1/s1