2-[2-(4-carbamimidoylphenyl)-2-piperazin-1-yl-piperidin-1-yl]ethanoate; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 2-[2-(4-carbamimidoylphenyl)-2-piperazin-1-yl-piperidin-1-yl]ethanoate; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 2-[2-(4-carbamimidoylphenyl)-2-piperazin-1-yl-1-piperidyl]acetate; 2,2,2-trifluoroacetic acid CAS Name: 2-[2-(4-carbamimidoylphenyl)-2-(1-piperazinyl)-1-piperidinyl]acetate; 2,2,2-trifluoroacetic acid IUPAC Name: 2-[2-(4-carbamimidoylphenyl)-2-piperazin-1-ylpiperidin-1-yl]acetate; 2,2,2-trifluoroacetic acid Traditional Name: 2-[2-(4-amidinophenyl)-2-piperazino-piperidino]acetate; 2,2,2-trifluoroacetic acid Formula: C20H27F3N5O4- MolecularWeight: 458.45469

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)(C2=CC=C(C=C2)C(=N)N)N3CCNCC3)CC(=O)[O-].C(=O)(C(F)(F)F)O

Isomeric SMILES

C1CCN(C(C1)(C2=CC=C(C=C2)C(=N)N)N3CCNCC3)CC(=O)[O-].C(=O)(C(F)(F)F)O

InChI

InChI=1S/C18H27N5O2.C2HF3O2/c19-17(20)14-3-5-15(6-4-14)18(22-11-8-21-9-12-22)7-1-2-10-23(18)13-16(24)25;3-2(4,5)1(6)7/h3-6,21H,1-2,7-13H2,(H3,19,20)(H,24,25);(H,6,7)/p-1