N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide

Systemtic Name: N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Openeye Name: N-[(4S)-chroman-4-yl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide CAS Name: N-[(4S)-3,4-dihydro-2H-1-benzopyran-4-yl]-1-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide Traditional Name: N-[(4S)-chroman-4-yl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]isonipecotamide Formula: C21H23F3N3O2+ MolecularWeight: 406.42143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2CCOC3=CC=CC=C23)C4=[NH+]C=C(C=C4)C(F)(F)F

Isomeric SMILES

C1COC2=CC=CC=C2[C@H]1NC(=O)C3CCN(CC3)C4=[NH+]C=C(C=C4)C(F)(F)F

InChI

InChI=1S/C21H22F3N3O2/c22-21(23,24)15-5-6-19(25-13-15)27-10-7-14(8-11-27)20(28)26-17-9-12-29-18-4-2-1-3-16(17)18/h1-6,13-14,17H,7-12H2,(H,26,28)/p+1/t17-/m0/s1