[1-[5-methyl-2-oxidanylidene-1-[4-oxidanyl-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butyl]pyrimidin-4-yl]piperidin-4-yl]methyl-pyridin-1-ium-2-yl-azanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [1-[5-methyl-2-oxidanylidene-1-[4-oxidanyl-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butyl]pyrimidin-4-yl]piperidin-4-yl]methyl-pyridin-1-ium-2-yl-azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [1-[1-[2-(benzyloxycarbonylamino)-4-hydroxy-4-oxo-butyl]-5-methyl-2-oxo-pyrimidin-4-yl]-4-piperidyl]methyl-pyridin-1-ium-2-yl-ammonium; 2,2,2-trifluoroacetate CAS Name: [1-[1-[4-hydroxy-4-oxo-2-(phenylmethoxycarbonylamino)butyl]-5-methyl-2-oxo-4-pyrimidinyl]-4-piperidinyl]methyl-(2-pyridin-1-iumyl)ammonium; 2,2,2-trifluoroacetate IUPAC Name: [1-[1-[4-hydroxy-4-oxo-2-(phenylmethoxycarbonylamino)butyl]-5-methyl-2-oxopyrimidin-4-yl]piperidin-4-yl]methyl-pyridin-1-ium-2-ylazanium; 2,2,2-trifluoroacetate Traditional Name: [1-[1-[2-(benzyloxycarbonylamino)-4-hydroxy-4-keto-butyl]-2-keto-5-methyl-pyrimidin-4-yl]-4-piperidyl]methyl-pyridin-1-ium-2-yl-ammonium; 2,2,2-trifluoroacetate Formula: C32H36F6N6O9 MolecularWeight: 762.653459

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)N=C1N2CCC(CC2)C[NH2+]C3=CC=CC=[NH+]3)CC(CC(=O)O)NC(=O)OCC4=CC=CC=C4.C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CC1=CN(C(=O)N=C1N2CCC(CC2)C[NH2+]C3=CC=CC=[NH+]3)CC(CC(=O)O)NC(=O)OCC4=CC=CC=C4.C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C28H34N6O5.2C2HF3O2/c1-20-17-34(18-23(15-25(35)36)31-28(38)39-19-22-7-3-2-4-8-22)27(37)32-26(20)33-13-10-21(11-14-33)16-30-24-9-5-6-12-29-24;2*3-2(4,5)1(6)7/h2-9,12,17,21,23H,10-11,13-16,18-19H2,1H3,(H,29,30)(H,31,38)(H,35,36);2*(H,6,7)