(2S)-1-(4-phenylphenoxy)-3-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]propan-2-ol

Systemtic Name: (2S)-1-(4-phenylphenoxy)-3-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]propan-2-ol Openeye Name: (2S)-1-(4-phenylphenoxy)-3-[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]propan-2-ol CAS Name: (2S)-1-(4-phenylphenoxy)-3-[4-(2-pyridinylmethyl)-1-piperazin-4-iumyl]-2-propanol IUPAC Name: (2S)-1-(4-phenylphenoxy)-3-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]propan-2-ol Traditional Name: (2S)-1-(4-phenylphenoxy)-3-[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]propan-2-ol Formula: C25H30N3O2+ MolecularWeight: 404.5246

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=N2)CC(COC3=CC=C(C=C3)C4=CC=CC=C4)O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=N2)C[C@@H](COC3=CC=C(C=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C25H29N3O2/c29-24(19-28-16-14-27(15-17-28)18-23-8-4-5-13-26-23)20-30-25-11-9-22(10-12-25)21-6-2-1-3-7-21/h1-13,24,29H,14-20H2/p+1/t24-/m0/s1