cyclobutyl-[(3R)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidin-3-yl]azanium

Systemtic Name: cyclobutyl-[(3R)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidin-3-yl]azanium Openeye Name: cyclobutyl-[(3R)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-3-piperidyl]ammonium CAS Name: cyclobutyl-[(3R)-1-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-3-piperidinyl]ammonium IUPAC Name: cyclobutyl-[(3R)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidin-3-yl]azanium Traditional Name: cyclobutyl-[(3R)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-3-piperidyl]ammonium Formula: C15H22F3N3+2 MolecularWeight: 301.35049

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)[NH2+]C2CCCN(C2)C3=[NH+]C=C(C=C3)C(F)(F)F

Isomeric SMILES

C1C[C@H](CN(C1)C2=[NH+]C=C(C=C2)C(F)(F)F)[NH2+]C3CCC3

InChI

InChI=1S/C15H20F3N3/c16-15(17,18)11-6-7-14(19-9-11)21-8-2-5-13(10-21)20-12-3-1-4-12/h6-7,9,12-13,20H,1-5,8,10H2/p+2/t13-/m1/s1