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

Systemtic Name: (2S)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-ol Openeye Name: (2S)-1-(4-benzylpiperazin-4-ium-1-yl)-3-indan-5-yloxy-propan-2-ol CAS Name: (2S)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-propanol IUPAC Name: (2S)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol Traditional Name: (2S)-1-(4-benzylpiperazin-4-ium-1-yl)-3-indan-5-yloxy-propan-2-ol Formula: C23H31N2O2+ MolecularWeight: 367.50444

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)OCC(CN3CC[NH+](CC3)CC4=CC=CC=C4)O

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)OC[C@H](CN3CC[NH+](CC3)CC4=CC=CC=C4)O

InChI

InChI=1S/C23H30N2O2/c26-22(18-27-23-10-9-20-7-4-8-21(20)15-23)17-25-13-11-24(12-14-25)16-19-5-2-1-3-6-19/h1-3,5-6,9-10,15,22,26H,4,7-8,11-14,16-18H2/p+1/t22-/m0/s1