N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide

Systemtic Name: N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Openeye Name: N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide CAS Name: N-[(1,5-dimethyl-2-pyrrolyl)methyl]-1-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Traditional Name: N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]isonipecotamide Formula: C19H24F3N4O+ MolecularWeight: 381.41527

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C)CNC(=O)C2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=CC=C(N1C)CNC(=O)C2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C19H23F3N4O/c1-13-3-5-16(25(13)2)12-24-18(27)14-7-9-26(10-8-14)17-6-4-15(11-23-17)19(20,21)22/h3-6,11,14H,7-10,12H2,1-2H3,(H,24,27)/p+1