[4-[(2,3-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(3-fluorophenyl)methanone

Systemtic Name: [4-[(2,3-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(3-fluorophenyl)methanone Openeye Name: [4-[(2,3-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(3-fluorophenyl)methanone CAS Name: [4-[(2,3-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-(3-fluorophenyl)methanone IUPAC Name: [4-[(2,3-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(3-fluorophenyl)methanone Traditional Name: (3-fluorophenyl)-(4-o-veratrylpiperazin-4-ium-1-yl)methanone Formula: C20H24FN2O3+ MolecularWeight: 359.414563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)F

Isomeric SMILES

COC1=CC=CC(=C1OC)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C20H23FN2O3/c1-25-18-8-4-6-16(19(18)26-2)14-22-9-11-23(12-10-22)20(24)15-5-3-7-17(21)13-15/h3-8,13H,9-12,14H2,1-2H3/p+1