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

Systemtic Name: N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(3-fluoro-4-methoxy-phenyl)methyl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(3-fluoro-4-methoxy-benzyl)-N-methyl-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C19H25FN5O2+ MolecularWeight: 374.432503

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=C(C=C1)OC)F)C(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CN(CC1=CC(=C(C=C1)OC)F)C(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C19H24FN5O2/c1-23(13-15-4-5-17(27-2)16(20)12-15)18(26)14-24-8-10-25(11-9-24)19-21-6-3-7-22-19/h3-7,12H,8-11,13-14H2,1-2H3/p+1