2-[1-[3-[[4-[azanyl-(4-methylpiperazin-1-ium-1-ylidene)methyl]-2-fluoranyl-phenyl]carbonylamino]-2,2-dimethyl-pentanoyl]piperidin-4-yl]ethanoic acid; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 2-[1-[3-[[4-[azanyl-(4-methylpiperazin-1-ium-1-ylidene)methyl]-2-fluoranyl-phenyl]carbonylamino]-2,2-dimethyl-pentanoyl]piperidin-4-yl]ethanoic acid; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 2-[1-[3-[[4-[amino-(4-methylpiperazin-1-ium-1-ylidene)methyl]-2-fluoro-benzoyl]amino]-2,2-dimethyl-pentanoyl]-4-piperidyl]acetic acid; 2,2,2-trifluoroacetate CAS Name: 2-[1-[3-[[[4-[amino-(4-methyl-1-piperazin-1-iumylidene)methyl]-2-fluorophenyl]-oxomethyl]amino]-2,2-dimethyl-1-oxopentyl]-4-piperidinyl]acetic acid; 2,2,2-trifluoroacetate IUPAC Name: 2-[1-[3-[[4-[amino-(4-methylpiperazin-1-ium-1-ylidene)methyl]-2-fluorobenzoyl]amino]-2,2-dimethylpentanoyl]piperidin-4-yl]acetic acid; 2,2,2-trifluoroacetate Traditional Name: 2-[1-[3-[[4-[amino-(4-methylpiperazin-1-ium-1-ylidene)methyl]-2-fluoro-benzoyl]amino]-2,2-dimethyl-pentanoyl]-4-piperidyl]acetic acid; 2,2,2-trifluoroacetate Formula: C29H41F4N5O6 MolecularWeight: 631.659353

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)(C)C(=O)N1CCC(CC1)CC(=O)O)NC(=O)C2=C(C=C(C=C2)C(=[N+]3CCN(CC3)C)N)F.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CCC(C(C)(C)C(=O)N1CCC(CC1)CC(=O)O)NC(=O)C2=C(C=C(C=C2)C(=[N+]3CCN(CC3)C)N)F.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C27H40FN5O4.C2HF3O2/c1-5-22(27(2,3)26(37)33-10-8-18(9-11-33)16-23(34)35)30-25(36)20-7-6-19(17-21(20)28)24(29)32-14-12-31(4)13-15-32;3-2(4,5)1(6)7/h6-7,17-18,22,29H,5,8-16H2,1-4H3,(H2,30,34,35,36);(H,6,7)