2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)-N-(3-fluoranyl-4-methyl-phenyl)ethanamide

Systemtic Name: 2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)-N-(3-fluoranyl-4-methyl-phenyl)ethanamide Openeye Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(3-fluoro-4-methyl-phenyl)acetamide CAS Name: 2-[4-[cyclopropyl(oxo)methyl]-1-piperazin-1-iumyl]-N-(3-fluoro-4-methylphenyl)acetamide IUPAC Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide Traditional Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(3-fluoro-4-methyl-phenyl)acetamide Formula: C17H23FN3O2+ MolecularWeight: 320.381823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3CC3)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3CC3)F

InChI

InChI=1S/C17H22FN3O2/c1-12-2-5-14(10-15(12)18)19-16(22)11-20-6-8-21(9-7-20)17(23)13-3-4-13/h2,5,10,13H,3-4,6-9,11H2,1H3,(H,19,22)/p+1