(2S)-1-(6-bromanylnaphthalen-2-yl)oxy-3-(4-piperidin-1-ylsulfonylpiperazin-1-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-(6-bromanylnaphthalen-2-yl)oxy-3-(4-piperidin-1-ylsulfonylpiperazin-1-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-[(6-bromo-2-naphthyl)oxy]-3-[4-(1-piperidylsulfonyl)piperazin-1-ium-1-yl]propan-2-ol CAS Name: (2S)-1-[(6-bromo-2-naphthalenyl)oxy]-3-[4-(1-piperidinylsulfonyl)-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-(6-bromonaphthalen-2-yl)oxy-3-(4-piperidin-1-ylsulfonylpiperazin-1-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(6-bromo-2-naphthoxy)-3-(4-piperidinosulfonylpiperazin-1-ium-1-yl)propan-2-ol Formula: C22H31BrN3O4S+ MolecularWeight: 513.46824

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)N2CC[NH+](CC2)CC(COC3=CC4=C(C=C3)C=C(C=C4)Br)O

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)N2CC[NH+](CC2)C[C@@H](COC3=CC4=C(C=C3)C=C(C=C4)Br)O

InChI

InChI=1S/C22H30BrN3O4S/c23-20-6-4-19-15-22(7-5-18(19)14-20)30-17-21(27)16-24-10-12-26(13-11-24)31(28,29)25-8-2-1-3-9-25/h4-7,14-15,21,27H,1-3,8-13,16-17H2/p+1/t21-/m0/s1