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

Systemtic Name: 2-[4-[(2S)-2-oxidanyl-3-(4-phenoxyphenoxy)propyl]piperazin-4-ium-1-yl]phenol Openeye Name: 2-[4-[(2S)-2-hydroxy-3-(4-phenoxyphenoxy)propyl]piperazin-4-ium-1-yl]phenol CAS Name: 2-[4-[(2S)-2-hydroxy-3-(4-phenoxyphenoxy)propyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 2-[4-[(2S)-2-hydroxy-3-(4-phenoxyphenoxy)propyl]piperazin-4-ium-1-yl]phenol Traditional Name: 2-[4-[(2S)-2-hydroxy-3-(4-phenoxyphenoxy)propyl]piperazin-4-ium-1-yl]phenol Formula: C25H29N2O4+ MolecularWeight: 421.50876

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COC2=CC=C(C=C2)OC3=CC=CC=C3)O)C4=CC=CC=C4O

Isomeric SMILES

C1CN(CC[NH+]1C[C@@H](COC2=CC=C(C=C2)OC3=CC=CC=C3)O)C4=CC=CC=C4O

InChI

InChI=1S/C25H28N2O4/c28-20(18-26-14-16-27(17-15-26)24-8-4-5-9-25(24)29)19-30-21-10-12-23(13-11-21)31-22-6-2-1-3-7-22/h1-13,20,28-29H,14-19H2/p+1/t20-/m0/s1