(2S)-1-(diphenylmethyl)oxy-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-(diphenylmethyl)oxy-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-benzhydryloxy-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(diphenylmethyl)oxy-3-(4-phenyl-1-piperazin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-benzhydryloxy-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-benzhydryloxy-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Formula: C26H31N2O2+ MolecularWeight: 403.53654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O2/c29-25(20-27-16-18-28(19-17-27)24-14-8-3-9-15-24)21-30-26(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-15,25-26,29H,16-21H2/p+1/t25-/m0/s1