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

Systemtic Name: N-[(2,3-dimethoxyphenyl)methyl]-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-methyl-ethanamide Openeye Name: N-[(2,3-dimethoxyphenyl)methyl]-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-methyl-acetamide CAS Name: N-[(2,3-dimethoxyphenyl)methyl]-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-N-methylacetamide IUPAC Name: N-[(2,3-dimethoxyphenyl)methyl]-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-methylacetamide Traditional Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-methyl-N-o-veratryl-acetamide Formula: C22H29FN3O3+ MolecularWeight: 402.482363

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C(=CC=C1)OC)OC)C(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CN(CC1=C(C(=CC=C1)OC)OC)C(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H28FN3O3/c1-24(15-17-5-4-6-20(28-2)22(17)29-3)21(27)16-25-11-13-26(14-12-25)19-9-7-18(23)8-10-19/h4-10H,11-16H2,1-3H3/p+1