2-(6-carbamimidoyl-2-piperazin-1-yl-2-pyridin-3-yl-piperidin-1-yl)ethanoate; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 2-(6-carbamimidoyl-2-piperazin-1-yl-2-pyridin-3-yl-piperidin-1-yl)ethanoate; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 2-[6-carbamimidoyl-2-piperazin-1-yl-2-(3-pyridyl)-1-piperidyl]acetate; 2,2,2-trifluoroacetic acid CAS Name: 2-[6-carbamimidoyl-2-(1-piperazinyl)-2-(3-pyridinyl)-1-piperidinyl]acetate; 2,2,2-trifluoroacetic acid IUPAC Name: 2-(6-carbamimidoyl-2-piperazin-1-yl-2-pyridin-3-ylpiperidin-1-yl)acetate; 2,2,2-trifluoroacetic acid Traditional Name: 2-[6-amidino-2-piperazino-2-(3-pyridyl)piperidino]acetate; 2,2,2-trifluoroacetic acid Formula: C19H26F3N6O4- MolecularWeight: 459.44275

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C(C1)(C2=CN=CC=C2)N3CCNCC3)CC(=O)[O-])C(=N)N.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1CC(N(C(C1)(C2=CN=CC=C2)N3CCNCC3)CC(=O)[O-])C(=N)N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C17H26N6O2.C2HF3O2/c18-16(19)14-4-1-5-17(23(14)12-15(24)25,13-3-2-6-21-11-13)22-9-7-20-8-10-22;3-2(4,5)1(6)7/h2-3,6,11,14,20H,1,4-5,7-10,12H2,(H3,18,19)(H,24,25);(H,6,7)/p-1