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

Systemtic Name: 2-[4-[(2S)-3-(diphenylmethyl)oxy-2-oxidanyl-propyl]piperazin-4-ium-1-yl]phenol Openeye Name: 2-[4-[(2S)-3-benzhydryloxy-2-hydroxy-propyl]piperazin-4-ium-1-yl]phenol CAS Name: 2-[4-[(2S)-3-(diphenylmethyl)oxy-2-hydroxypropyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 2-[4-[(2S)-3-benzhydryloxy-2-hydroxypropyl]piperazin-4-ium-1-yl]phenol Traditional Name: 2-[4-[(2S)-3-benzhydryloxy-2-hydroxy-propyl]piperazin-4-ium-1-yl]phenol Formula: C26H31N2O3+ MolecularWeight: 419.53594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COC(C2=CC=CC=C2)C3=CC=CC=C3)O)C4=CC=CC=C4O

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O3/c29-23(19-27-15-17-28(18-16-27)24-13-7-8-14-25(24)30)20-31-26(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,23,26,29-30H,15-20H2/p+1/t23-/m0/s1