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

Systemtic Name: (2S)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-3-(2-phenylphenoxy)propan-2-ol Openeye Name: (2S)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(2-phenylphenoxy)propan-2-ol CAS Name: (2S)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-3-(2-phenylphenoxy)-2-propanol IUPAC Name: (2S)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(2-phenylphenoxy)propan-2-ol Traditional Name: (2S)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(2-phenylphenoxy)propan-2-ol Formula: C26H31N2O2+ MolecularWeight: 403.53654

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)CC(COC3=CC=CC=C3C4=CC=CC=C4)O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C[C@@H](COC3=CC=CC=C3C4=CC=CC=C4)O

InChI

InChI=1S/C26H30N2O2/c29-24(20-28-17-15-27(16-18-28)19-22-9-3-1-4-10-22)21-30-26-14-8-7-13-25(26)23-11-5-2-6-12-23/h1-14,24,29H,15-21H2/p+1/t24-/m0/s1