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

Systemtic Name: N-[(2-methoxy-5-methyl-phenyl)methyl]-N-methyl-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Openeye Name: N-[(2-methoxy-5-methyl-phenyl)methyl]-N-methyl-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide CAS Name: N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-1-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Traditional Name: N-(2-methoxy-5-methyl-benzyl)-N-methyl-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]isonipecotamide Formula: C22H27F3N3O2+ MolecularWeight: 422.46389

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26F3N3O2/c1-15-4-6-19(30-3)17(12-15)14-27(2)21(29)16-8-10-28(11-9-16)20-7-5-18(13-26-20)22(23,24)25/h4-7,12-13,16H,8-11,14H2,1-3H3/p+1