(2S)-1-(4-phenylmethoxyphenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-(4-phenylmethoxyphenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-(4-benzyloxyphenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(4-phenylmethoxyphenoxy)-3-(4-phenyl-1-piperazin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-(4-phenylmethoxyphenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(4-benzoxyphenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Formula: C26H31N2O3+ MolecularWeight: 419.53594

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COC2=CC=C(C=C2)OCC3=CC=CC=C3)O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1C[C@@H](COC2=CC=C(C=C2)OCC3=CC=CC=C3)O)C4=CC=CC=C4

InChI

InChI=1S/C26H30N2O3/c29-24(19-27-15-17-28(18-16-27)23-9-5-2-6-10-23)21-31-26-13-11-25(12-14-26)30-20-22-7-3-1-4-8-22/h1-14,24,29H,15-21H2/p+1/t24-/m0/s1