[4-[(2S)-2-oxidanyl-3-(4-piperidin-1-ylsulfonylpiperazin-1-ium-1-yl)propoxy]phenyl]-phenyl-methanone

Systemtic Name: [4-[(2S)-2-oxidanyl-3-(4-piperidin-1-ylsulfonylpiperazin-1-ium-1-yl)propoxy]phenyl]-phenyl-methanone Openeye Name: [4-[(2S)-2-hydroxy-3-[4-(1-piperidylsulfonyl)piperazin-1-ium-1-yl]propoxy]phenyl]-phenyl-methanone CAS Name: [4-[(2S)-2-hydroxy-3-[4-(1-piperidinylsulfonyl)-1-piperazin-1-iumyl]propoxy]phenyl]-phenylmethanone IUPAC Name: [4-[(2S)-2-hydroxy-3-(4-piperidin-1-ylsulfonylpiperazin-1-ium-1-yl)propoxy]phenyl]-phenylmethanone Traditional Name: [4-[(2S)-2-hydroxy-3-(4-piperidinosulfonylpiperazin-1-ium-1-yl)propoxy]phenyl]-phenyl-methanone Formula: C25H34N3O5S+ MolecularWeight: 488.61956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O5S/c29-23(19-26-15-17-28(18-16-26)34(31,32)27-13-5-2-6-14-27)20-33-24-11-9-22(10-12-24)25(30)21-7-3-1-4-8-21/h1,3-4,7-12,23,29H,2,5-6,13-20H2/p+1/t23-/m0/s1