(2S)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-phenylmethoxy-propan-2-ol

Systemtic Name: (2S)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-phenylmethoxy-propan-2-ol Openeye Name: (2S)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-benzyloxy-propan-2-ol CAS Name: (2S)-1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-3-phenylmethoxy-2-propanol IUPAC Name: (2S)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-phenylmethoxypropan-2-ol Traditional Name: (2S)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-benzoxy-propan-2-ol Formula: C27H33N2O2+ MolecularWeight: 417.56312

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)CC(COCC4=CC=CC=C4)O

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C[C@@H](COCC4=CC=CC=C4)O

InChI

InChI=1S/C27H32N2O2/c30-26(22-31-21-23-10-4-1-5-11-23)20-28-16-18-29(19-17-28)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-/m0/s1