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

Systemtic Name: N-[(3-fluorophenyl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-methyl-ethanamide Openeye Name: N-[(3-fluorophenyl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-methyl-acetamide CAS Name: N-[(3-fluorophenyl)methyl]-2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-N-methylacetamide IUPAC Name: N-[(3-fluorophenyl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-methylacetamide Traditional Name: N-(3-fluorobenzyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-methyl-acetamide Formula: C21H27FN3O2+ MolecularWeight: 372.456383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26FN3O2/c1-23(15-17-4-3-5-18(22)14-17)21(26)16-24-10-12-25(13-11-24)19-6-8-20(27-2)9-7-19/h3-9,14H,10-13,15-16H2,1-2H3/p+1