(4-pyridin-1-ium-4-ylpiperazin-1-yl)-[1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidin-4-yl]methanone

Systemtic Name: (4-pyridin-1-ium-4-ylpiperazin-1-yl)-[1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidin-4-yl]methanone Openeye Name: (4-pyridin-1-ium-4-ylpiperazin-1-yl)-[1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-piperidyl]methanone CAS Name: [4-(4-pyridin-1-iumyl)-1-piperazinyl]-[1-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-piperidinyl]methanone IUPAC Name: (4-pyridin-1-ium-4-ylpiperazin-1-yl)-[1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidin-4-yl]methanone Traditional Name: (4-pyridin-1-ium-4-ylpiperazino)-[1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-piperidyl]methanone Formula: C21H26F3N5O+2 MolecularWeight: 421.45925

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=[NH+]C=C3)C4=[NH+]C=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=[NH+]C=C3)C4=[NH+]C=C(C=C4)C(F)(F)F

InChI

InChI=1S/C21H24F3N5O/c22-21(23,24)17-1-2-19(26-15-17)28-9-5-16(6-10-28)20(30)29-13-11-27(12-14-29)18-3-7-25-8-4-18/h1-4,7-8,15-16H,5-6,9-14H2/p+2