2-[1-(5-fluoranyl-2-methyl-phenyl)-3-(hydroxymethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: 2-[1-(5-fluoranyl-2-methyl-phenyl)-3-(hydroxymethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[1-(5-fluoro-2-methyl-phenyl)-3-(hydroxymethyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[1-(5-fluoro-2-methylphenyl)-3-(hydroxymethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-(5-fluoro-2-methylphenyl)-3-(hydroxymethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[1-(5-fluoro-2-methyl-phenyl)-3-methylol-piperazin-1-ium-1-yl]acetamide Formula: C14H21FN3O2+ MolecularWeight: 282.333843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)[N+]2(CCNC(C2)CO)CC(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)F)[N+]2(CCNC(C2)CO)CC(=O)N

InChI

InChI=1S/C14H20FN3O2/c1-10-2-3-11(15)6-13(10)18(8-14(16)20)5-4-17-12(7-18)9-19/h2-3,6,12,17,19H,4-5,7-9H2,1H3,(H-,16,20)/p+1