N-[(3S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidin-3-yl]cyclohexene-1-carboxamide

Systemtic Name: N-[(3S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidin-3-yl]cyclohexene-1-carboxamide Openeye Name: N-[(3S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-3-piperidyl]cyclohexene-1-carboxamide CAS Name: N-[(3S)-1-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-3-piperidinyl]-1-cyclohexenecarboxamide IUPAC Name: N-[(3S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidin-3-yl]cyclohexene-1-carboxamide Traditional Name: N-[(3S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-3-piperidyl]cyclohexene-1-carboxamide Formula: C18H23F3N3O+ MolecularWeight: 354.38993

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)C(=O)NC2CCCN(C2)C3=[NH+]C=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CCC(=CC1)C(=O)N[C@H]2CCCN(C2)C3=[NH+]C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H22F3N3O/c19-18(20,21)14-8-9-16(22-11-14)24-10-4-7-15(12-24)23-17(25)13-5-2-1-3-6-13/h5,8-9,11,15H,1-4,6-7,10,12H2,(H,23,25)/p+1/t15-/m0/s1