N-[(3-fluoranyl-4-methyl-phenyl)methyl]-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(3-fluoranyl-4-methyl-phenyl)methyl]-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(3-fluoro-4-methyl-phenyl)methyl]-2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(3-fluoro-4-methylphenyl)methyl]-2-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(3-fluoro-4-methylphenyl)methyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-fluoro-4-methyl-benzyl)-2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide Formula: C22H31FN5O+ MolecularWeight: 400.512843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)C[NH+]2CCN(CC2)C3=NC(=NC(=C3)C)C(C)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)C[NH+]2CCN(CC2)C3=NC(=NC(=C3)C)C(C)C)F

InChI

InChI=1S/C22H30FN5O/c1-15(2)22-25-17(4)11-20(26-22)28-9-7-27(8-10-28)14-21(29)24-13-18-6-5-16(3)19(23)12-18/h5-6,11-12,15H,7-10,13-14H2,1-4H3,(H,24,29)/p+1