2-[4-[(2S)-2-oxidanyl-3-(4-phenylphenoxy)propyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[(2S)-2-oxidanyl-3-(4-phenylphenoxy)propyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C25H34N3O3+ MolecularWeight: 424.55576

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)CC(COC3=CC=C(C=C3)C4=CC=CC=C4)O

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C[C@@H](COC3=CC=C(C=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C25H33N3O3/c29-23(20-31-24-10-8-22(9-11-24)21-6-2-1-3-7-21)18-26-14-16-27(17-15-26)19-25(30)28-12-4-5-13-28/h1-3,6-11,23,29H,4-5,12-20H2/p+1/t23-/m0/s1