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

Systemtic Name: 1-pyrrolidin-1-ium-1-yl-N-[(3S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidin-3-yl]cyclopentane-1-carboxamide Openeye Name: 1-pyrrolidin-1-ium-1-yl-N-[(3S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-3-piperidyl]cyclopentanecarboxamide CAS Name: 1-(1-pyrrolidin-1-iumyl)-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-3-piperidinyl]-1-cyclopentanecarboxamide IUPAC Name: 1-pyrrolidin-1-ium-1-yl-N-[(3S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidin-3-yl]cyclopentane-1-carboxamide Traditional Name: 1-pyrrolidin-1-ium-1-yl-N-[(3S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-3-piperidyl]cyclopentanecarboxamide Formula: C21H31F3N4O+2 MolecularWeight: 412.49225

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C(=O)NC2CCCN(C2)C3=[NH+]C=C(C=C3)C(F)(F)F)[NH+]4CCCC4

Isomeric SMILES

C1CCC(C1)(C(=O)N[C@H]2CCCN(C2)C3=[NH+]C=C(C=C3)C(F)(F)F)[NH+]4CCCC4

InChI

InChI=1S/C21H29F3N4O/c22-21(23,24)16-7-8-18(25-14-16)27-11-5-6-17(15-27)26-19(29)20(9-1-2-10-20)28-12-3-4-13-28/h7-8,14,17H,1-6,9-13,15H2,(H,26,29)/p+2/t17-/m0/s1