N-tert-butyl-N-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-tert-butyl-N-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-tert-butyl-N-[2-(4-fluoroanilino)-2-oxo-ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-tert-butyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-tert-butyl-N-[2-(4-fluoroanilino)-2-keto-ethyl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C22H30FN6O2+ MolecularWeight: 429.511003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CC(=O)NC1=CC=C(C=C1)F)C(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC(C)(C)N(CC(=O)NC1=CC=C(C=C1)F)C(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C22H29FN6O2/c1-22(2,3)29(15-19(30)26-18-7-5-17(23)6-8-18)20(31)16-27-11-13-28(14-12-27)21-24-9-4-10-25-21/h4-10H,11-16H2,1-3H3,(H,26,30)/p+1