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

Systemtic Name: N-[(3-fluorophenyl)methyl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-methyl-ethanamide Openeye Name: N-[(3-fluorophenyl)methyl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-methyl-acetamide CAS Name: N-[(3-fluorophenyl)methyl]-2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-N-methylacetamide IUPAC Name: N-[(3-fluorophenyl)methyl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-methylacetamide Traditional Name: N-(3-fluorobenzyl)-2-[4-(3-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(=CC=C3)OC

Isomeric SMILES

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

InChI

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