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

Systemtic Name: N-[(4-fluoranyl-3-methyl-phenyl)methyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(4-fluoro-3-methyl-phenyl)methyl]-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(4-fluoro-3-methylphenyl)methyl]-2-[4-(2-pyridinylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(4-fluoro-3-methylphenyl)methyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-fluoro-3-methyl-benzyl)-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide Formula: C20H26FN4O+ MolecularWeight: 357.445043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CNC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=N3)F

Isomeric SMILES

CC1=C(C=CC(=C1)CNC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=N3)F

InChI

InChI=1S/C20H25FN4O/c1-16-12-17(5-6-19(16)21)13-23-20(26)15-25-10-8-24(9-11-25)14-18-4-2-3-7-22-18/h2-7,12H,8-11,13-15H2,1H3,(H,23,26)/p+1