6-[[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol

Systemtic Name: 6-[[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol Openeye Name: 6-[[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]methyl]indan-5-ol CAS Name: 6-[[4-[(2-fluorophenyl)methyl]-1-piperazin-4-iumyl]methyl]-2,3-dihydro-1H-inden-5-ol IUPAC Name: 6-[[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]methyl]-2,3-dihydro-1H-inden-5-ol Traditional Name: 6-[[4-(2-fluorobenzyl)piperazin-4-ium-1-yl]methyl]indan-5-ol Formula: C21H26FN2O+ MolecularWeight: 341.442343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC(=C(C=C2C1)O)CN3CC[NH+](CC3)CC4=CC=CC=C4F

Isomeric SMILES

C1CC2=CC(=C(C=C2C1)O)CN3CC[NH+](CC3)CC4=CC=CC=C4F

InChI

InChI=1S/C21H25FN2O/c22-20-7-2-1-4-18(20)14-23-8-10-24(11-9-23)15-19-12-16-5-3-6-17(16)13-21(19)25/h1-2,4,7,12-13,25H,3,5-6,8-11,14-15H2/p+1