(2S)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-indan-5-yloxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-indan-5-yloxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol Formula: C21H29N3O2+2 MolecularWeight: 355.47386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)OCC(C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)O

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)OC[C@H](C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)O

InChI

InChI=1S/C21H27N3O2/c25-19(16-26-20-8-7-17-4-3-5-18(17)14-20)15-23-10-12-24(13-11-23)21-6-1-2-9-22-21/h1-2,6-9,14,19,25H,3-5,10-13,15-16H2/p+2/t19-/m0/s1