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

Systemtic Name: N-[(2-bromophenyl)methyl]-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-methyl-ethanamide Openeye Name: N-[(2-bromophenyl)methyl]-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-methyl-acetamide CAS Name: N-[(2-bromophenyl)methyl]-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-N-methylacetamide IUPAC Name: N-[(2-bromophenyl)methyl]-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-methylacetamide Traditional Name: N-(2-bromobenzyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-methyl-acetamide Formula: C20H24BrFN3O+ MolecularWeight: 421.326463

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1Br)C(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CN(CC1=CC=CC=C1Br)C(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H23BrFN3O/c1-23(14-16-4-2-3-5-19(16)21)20(26)15-24-10-12-25(13-11-24)18-8-6-17(22)7-9-18/h2-9H,10-15H2,1H3/p+1