N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N,2-dimethyl-pyrazole-3-carboxamide

Systemtic Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N,2-dimethyl-pyrazole-3-carboxamide Openeye Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N,2-dimethyl-pyrazole-3-carboxamide CAS Name: N-[(3S)-1-[(2-fluorophenyl)methyl]-3-piperidin-1-iumyl]-N,2-dimethyl-3-pyrazolecarboxamide IUPAC Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N,2-dimethylpyrazole-3-carboxamide Traditional Name: N-[(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]-N,2-dimethyl-pyrazole-3-carboxamide Formula: C18H24FN4O+ MolecularWeight: 331.407763

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C(=O)N(C)C2CCC[NH+](C2)CC3=CC=CC=C3F

Isomeric SMILES

CN1C(=CC=N1)C(=O)N(C)[C@H]2CCC[NH+](C2)CC3=CC=CC=C3F

InChI

InChI=1S/C18H23FN4O/c1-21(18(24)17-9-10-20-22(17)2)15-7-5-11-23(13-15)12-14-6-3-4-8-16(14)19/h3-4,6,8-10,15H,5,7,11-13H2,1-2H3/p+1/t15-/m0/s1