N-[2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-2-fluoranyl-benzamide

Systemtic Name: N-[2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-2-fluoranyl-benzamide Openeye Name: N-[2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]-2-fluoro-benzamide CAS Name: N-[2-[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]-2-fluorobenzamide IUPAC Name: N-[2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]-2-fluorobenzamide Traditional Name: N-[2-[4-(2,5-dimethoxybenzyl)piperazin-4-ium-1-yl]-2-keto-ethyl]-2-fluoro-benzamide Formula: C22H27FN3O4+ MolecularWeight: 416.465883

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)CNC(=O)C3=CC=CC=C3F

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)CNC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C22H26FN3O4/c1-29-17-7-8-20(30-2)16(13-17)15-25-9-11-26(12-10-25)21(27)14-24-22(28)18-5-3-4-6-19(18)23/h3-8,13H,9-12,14-15H2,1-2H3,(H,24,28)/p+1