(2S)-1-(4-morpholin-4-ylsulfonylphenoxy)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-ol

Systemtic Name: (2S)-1-(4-morpholin-4-ylsulfonylphenoxy)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-ol Openeye Name: (2S)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(4-morpholinosulfonylphenoxy)propan-2-ol CAS Name: (2S)-1-[4-(4-morpholinylsulfonyl)phenoxy]-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-propanol IUPAC Name: (2S)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol Traditional Name: (2S)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(4-morpholinosulfonylphenoxy)propan-2-ol Formula: C24H34N3O5S+ MolecularWeight: 476.60886

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)CC(COC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C[C@@H](COC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)O

InChI

InChI=1S/C24H33N3O5S/c28-22(19-26-12-10-25(11-13-26)18-21-4-2-1-3-5-21)20-32-23-6-8-24(9-7-23)33(29,30)27-14-16-31-17-15-27/h1-9,22,28H,10-20H2/p+1/t22-/m0/s1