3-methyl-1-propyl-N-[(3S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidin-3-yl]pyrazole-4-carboxamide

Systemtic Name: 3-methyl-1-propyl-N-[(3S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidin-3-yl]pyrazole-4-carboxamide Openeye Name: 3-methyl-1-propyl-N-[(3S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-3-piperidyl]pyrazole-4-carboxamide CAS Name: 3-methyl-1-propyl-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-3-piperidinyl]-4-pyrazolecarboxamide IUPAC Name: 3-methyl-1-propyl-N-[(3S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidin-3-yl]pyrazole-4-carboxamide Traditional Name: 3-methyl-1-propyl-N-[(3S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-3-piperidyl]pyrazole-4-carboxamide Formula: C19H25F3N5O+ MolecularWeight: 396.42991

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C(=N1)C)C(=O)NC2CCCN(C2)C3=[NH+]C=C(C=C3)C(F)(F)F

Isomeric SMILES

CCCN1C=C(C(=N1)C)C(=O)N[C@H]2CCCN(C2)C3=[NH+]C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C19H24F3N5O/c1-3-8-27-12-16(13(2)25-27)18(28)24-15-5-4-9-26(11-15)17-7-6-14(10-23-17)19(20,21)22/h6-7,10,12,15H,3-5,8-9,11H2,1-2H3,(H,24,28)/p+1/t15-/m0/s1