pyridin-3-ylmethyl-[(3S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidin-3-yl]azanium

Systemtic Name: pyridin-3-ylmethyl-[(3S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidin-3-yl]azanium Openeye Name: 3-pyridylmethyl-[(3S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-3-piperidyl]ammonium CAS Name: 3-pyridinylmethyl-[(3S)-1-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-3-piperidinyl]ammonium IUPAC Name: pyridin-3-ylmethyl-[(3S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidin-3-yl]azanium Traditional Name: 3-pyridylmethyl-[(3S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-3-piperidyl]ammonium Formula: C17H21F3N4+2 MolecularWeight: 338.37065

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=[NH+]C=C(C=C2)C(F)(F)F)[NH2+]CC3=CN=CC=C3

Isomeric SMILES

C1C[C@@H](CN(C1)C2=[NH+]C=C(C=C2)C(F)(F)F)[NH2+]CC3=CN=CC=C3

InChI

InChI=1S/C17H19F3N4/c18-17(19,20)14-5-6-16(23-11-14)24-8-2-4-15(12-24)22-10-13-3-1-7-21-9-13/h1,3,5-7,9,11,15,22H,2,4,8,10,12H2/p+2/t15-/m0/s1