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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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