N-tert-butyl-N-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-tert-butyl-N-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-tert-butyl-N-[2-(4-fluoroanilino)-2-oxo-ethyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-tert-butyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-tert-butyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-tert-butyl-N-[2-(4-fluoroanilino)-2-keto-ethyl]-2-(3-ketopiperazin-1-ium-1-yl)acetamide Formula: C18H26FN4O3+ MolecularWeight: 365.422443

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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+]2CCNC(=O)C2

Isomeric SMILES

CC(C)(C)N(CC(=O)NC1=CC=C(C=C1)F)C(=O)C[NH+]2CCNC(=O)C2

InChI

InChI=1S/C18H25FN4O3/c1-18(2,3)23(17(26)12-22-9-8-20-15(24)10-22)11-16(25)21-14-6-4-13(19)5-7-14/h4-7H,8-12H2,1-3H3,(H,20,24)(H,21,25)/p+1