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

Systemtic Name: 5-ethyl-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-2-methyl-pyrazole-3-carboxamide Openeye Name: 5-ethyl-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-2-methyl-pyrazole-3-carboxamide CAS Name: 5-ethyl-N-[(3S)-1-[(2-fluorophenyl)methyl]-3-piperidin-1-iumyl]-2-methyl-3-pyrazolecarboxamide IUPAC Name: 5-ethyl-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-2-methylpyrazole-3-carboxamide Traditional Name: 5-ethyl-N-[(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]-2-methyl-pyrazole-3-carboxamide Formula: C19H26FN4O+ MolecularWeight: 345.434343

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1)C(=O)NC2CCC[NH+](C2)CC3=CC=CC=C3F)C

Isomeric SMILES

CCC1=NN(C(=C1)C(=O)N[C@H]2CCC[NH+](C2)CC3=CC=CC=C3F)C

InChI

InChI=1S/C19H25FN4O/c1-3-15-11-18(23(2)22-15)19(25)21-16-8-6-10-24(13-16)12-14-7-4-5-9-17(14)20/h4-5,7,9,11,16H,3,6,8,10,12-13H2,1-2H3,(H,21,25)/p+1/t16-/m0/s1