(2S)-1-(4-phenylphenoxy)-3-(4-piperidin-1-ylsulfonylpiperazin-1-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-(4-phenylphenoxy)-3-(4-piperidin-1-ylsulfonylpiperazin-1-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-(4-phenylphenoxy)-3-[4-(1-piperidylsulfonyl)piperazin-1-ium-1-yl]propan-2-ol CAS Name: (2S)-1-(4-phenylphenoxy)-3-[4-(1-piperidinylsulfonyl)-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-(4-phenylphenoxy)-3-(4-piperidin-1-ylsulfonylpiperazin-1-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(4-phenylphenoxy)-3-(4-piperidinosulfonylpiperazin-1-ium-1-yl)propan-2-ol Formula: C24H34N3O4S+ MolecularWeight: 460.60946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N3O4S/c28-23(20-31-24-11-9-22(10-12-24)21-7-3-1-4-8-21)19-25-15-17-27(18-16-25)32(29,30)26-13-5-2-6-14-26/h1,3-4,7-12,23,28H,2,5-6,13-20H2/p+1/t23-/m0/s1