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

Systemtic Name: (2S)-1-(6-bromanylnaphthalen-2-yl)oxy-3-(4-morpholin-4-ylsulfonylpiperazin-1-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-[(6-bromo-2-naphthyl)oxy]-3-(4-morpholinosulfonylpiperazin-1-ium-1-yl)propan-2-ol CAS Name: (2S)-1-[(6-bromo-2-naphthalenyl)oxy]-3-[4-(4-morpholinylsulfonyl)-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-(6-bromonaphthalen-2-yl)oxy-3-(4-morpholin-4-ylsulfonylpiperazin-1-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(6-bromo-2-naphthoxy)-3-(4-morpholinosulfonylpiperazin-1-ium-1-yl)propan-2-ol Formula: C21H29BrN3O5S+ MolecularWeight: 515.44106

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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)N4CCOCC4

Isomeric SMILES

C1CN(CC[NH+]1C[C@@H](COC2=CC3=C(C=C2)C=C(C=C3)Br)O)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H28BrN3O5S/c22-19-3-1-18-14-21(4-2-17(18)13-19)30-16-20(26)15-23-5-7-24(8-6-23)31(27,28)25-9-11-29-12-10-25/h1-4,13-14,20,26H,5-12,15-16H2/p+1/t20-/m0/s1