3-[4-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]propanamide

Systemtic Name: 3-[4-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]propanamide Openeye Name: 3-[4-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]propanamide CAS Name: 3-[4-[[3-(2-fluorophenyl)-1-methyl-4-pyrazolyl]methyl]-1-piperazin-4-iumyl]propanamide IUPAC Name: 3-[4-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]piperazin-4-ium-1-yl]propanamide Traditional Name: 3-[4-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]propionamide Formula: C18H25FN5O+ MolecularWeight: 346.422403

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=CC=C2F)C[NH+]3CCN(CC3)CCC(=O)N

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=CC=C2F)C[NH+]3CCN(CC3)CCC(=O)N

InChI

InChI=1S/C18H24FN5O/c1-22-12-14(18(21-22)15-4-2-3-5-16(15)19)13-24-10-8-23(9-11-24)7-6-17(20)25/h2-5,12H,6-11,13H2,1H3,(H2,20,25)/p+1