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

Systemtic Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Openeye Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide CAS Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-1-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Traditional Name: N-(2,4-dimethylbenzyl)-N-methyl-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]isonipecotamide Formula: C22H27F3N3O+ MolecularWeight: 406.46449

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CN(C)C(=O)C2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F)C

Isomeric SMILES

CC1=CC(=C(C=C1)CN(C)C(=O)C2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F)C

InChI

InChI=1S/C22H26F3N3O/c1-15-4-5-18(16(2)12-15)14-27(3)21(29)17-8-10-28(11-9-17)20-7-6-19(13-26-20)22(23,24)25/h4-7,12-13,17H,8-11,14H2,1-3H3/p+1