2-[4-[(2S)-2-oxidanyl-3-(4-phenoxyphenoxy)propyl]piperazin-1-ium-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-[(2S)-2-oxidanyl-3-(4-phenoxyphenoxy)propyl]piperazin-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[(2S)-2-hydroxy-3-(4-phenoxyphenoxy)propyl]piperazin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[(2S)-2-hydroxy-3-(4-phenoxyphenoxy)propyl]-1-piperazin-1-iumyl]-N-phenylacetamide IUPAC Name: 2-[4-[(2S)-2-hydroxy-3-(4-phenoxyphenoxy)propyl]piperazin-1-ium-1-yl]-N-phenylacetamide Traditional Name: 2-[4-[(2S)-2-hydroxy-3-(4-phenoxyphenoxy)propyl]piperazin-1-ium-1-yl]-N-phenyl-acetamide Formula: C27H32N3O4+ MolecularWeight: 462.56068

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2)CC(COC3=CC=C(C=C3)OC4=CC=CC=C4)O

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2)C[C@@H](COC3=CC=C(C=C3)OC4=CC=CC=C4)O

InChI

InChI=1S/C27H31N3O4/c31-23(21-33-24-11-13-26(14-12-24)34-25-9-5-2-6-10-25)19-29-15-17-30(18-16-29)20-27(32)28-22-7-3-1-4-8-22/h1-14,23,31H,15-21H2,(H,28,32)/p+1/t23-/m0/s1