(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]propan-2-ol

Systemtic Name: (2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]propan-2-ol Openeye Name: (2R)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-indan-5-yloxy-propan-2-ol CAS Name: (2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-propanol IUPAC Name: (2R)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol Traditional Name: (2R)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-indan-5-yloxy-propan-2-ol Formula: C29H35N2O2+ MolecularWeight: 443.6004

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)OCC(CN3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)O

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)OC[C@@H](CN3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)O

InChI

InChI=1S/C29H34N2O2/c32-27(22-33-28-15-14-23-12-7-13-26(23)20-28)21-30-16-18-31(19-17-30)29(24-8-3-1-4-9-24)25-10-5-2-6-11-25/h1-6,8-11,14-15,20,27,29,32H,7,12-13,16-19,21-22H2/p+1/t27-/m1/s1