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

Systemtic Name: N-tert-butyl-N-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-tert-butyl-N-[2-(4-fluoroanilino)-2-oxo-ethyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-tert-butyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-tert-butyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-tert-butyl-N-[2-(4-fluoroanilino)-2-keto-ethyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C24H32FN4O2+ MolecularWeight: 427.534883

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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=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C24H31FN4O2/c1-24(2,3)29(17-22(30)26-20-11-9-19(25)10-12-20)23(31)18-27-13-15-28(16-14-27)21-7-5-4-6-8-21/h4-12H,13-18H2,1-3H3,(H,26,30)/p+1