4-[[4-[(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-2,6-dimethoxy-phenol

Systemtic Name: 4-[[4-[(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-2,6-dimethoxy-phenol Openeye Name: 4-[[4-[(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-2,6-dimethoxy-phenol CAS Name: 4-[[4-[(4-fluorophenyl)methyl]-1-piperazin-1-iumyl]methyl]-2,6-dimethoxyphenol IUPAC Name: 4-[[4-[(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-2,6-dimethoxyphenol Traditional Name: 4-[[4-(4-fluorobenzyl)piperazin-1-ium-1-yl]methyl]-2,6-dimethoxy-phenol Formula: C20H26FN2O3+ MolecularWeight: 361.430443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C[NH+]2CCN(CC2)CC3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)C[NH+]2CCN(CC2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C20H25FN2O3/c1-25-18-11-16(12-19(26-2)20(18)24)14-23-9-7-22(8-10-23)13-15-3-5-17(21)6-4-15/h3-6,11-12,24H,7-10,13-14H2,1-2H3/p+1