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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C[NH+]2CCN(CC2)CC3=CC=CC=C3F

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)C[NH+]2CCN(CC2)CC3=CC=CC=C3F

InChI

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