(2R)-1-(diphenylmethyl)oxy-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-ol

Systemtic Name: (2R)-1-(diphenylmethyl)oxy-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-ol Openeye Name: (2R)-1-benzhydryloxy-3-(4-benzylpiperazin-4-ium-1-yl)propan-2-ol CAS Name: (2R)-1-(diphenylmethyl)oxy-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-propanol IUPAC Name: (2R)-1-benzhydryloxy-3-(4-benzylpiperazin-4-ium-1-yl)propan-2-ol Traditional Name: (2R)-1-benzhydryloxy-3-(4-benzylpiperazin-4-ium-1-yl)propan-2-ol Formula: C27H33N2O2+ MolecularWeight: 417.56312

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)CC(COC(C3=CC=CC=C3)C4=CC=CC=C4)O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C[C@H](COC(C3=CC=CC=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C27H32N2O2/c30-26(21-29-18-16-28(17-19-29)20-23-10-4-1-5-11-23)22-31-27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26-27,30H,16-22H2/p+1/t26-/m1/s1