2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]-N-methyl-N-phenyl-ethanamide

Systemtic Name: 2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]-N-methyl-N-phenyl-ethanamide Openeye Name: 2-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]-N-methyl-N-phenyl-acetamide CAS Name: 2-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-1-iumyl]-N-methyl-N-phenylacetamide IUPAC Name: 2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-ium-1-yl]-N-methyl-N-phenylacetamide Traditional Name: 2-[4-(3-fluoro-4-methoxy-benzyl)piperazin-1-ium-1-yl]-N-methyl-N-phenyl-acetamide Formula: C21H27FN3O2+ MolecularWeight: 372.456383

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)C[NH+]2CCN(CC2)CC3=CC(=C(C=C3)OC)F

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)C[NH+]2CCN(CC2)CC3=CC(=C(C=C3)OC)F

InChI

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