5-methyl-N-[(3S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidin-3-yl]-1H-pyrazole-3-carboxamide

Systemtic Name: 5-methyl-N-[(3S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidin-3-yl]-1H-pyrazole-3-carboxamide Openeye Name: 5-methyl-N-[(3S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-3-piperidyl]-1H-pyrazole-3-carboxamide CAS Name: 5-methyl-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-3-piperidinyl]-1H-pyrazole-3-carboxamide IUPAC Name: 5-methyl-N-[(3S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidin-3-yl]-1H-pyrazole-3-carboxamide Traditional Name: 5-methyl-N-[(3S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-3-piperidyl]-1H-pyrazole-3-carboxamide Formula: C16H19F3N5O+ MolecularWeight: 354.35017

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C(=O)NC2CCCN(C2)C3=[NH+]C=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=CC(=NN1)C(=O)N[C@H]2CCCN(C2)C3=[NH+]C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C16H18F3N5O/c1-10-7-13(23-22-10)15(25)21-12-3-2-6-24(9-12)14-5-4-11(8-20-14)16(17,18)19/h4-5,7-8,12H,2-3,6,9H2,1H3,(H,21,25)(H,22,23)/p+1/t12-/m0/s1