2-(6-tert-butyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]ethyl]ethanamide

Systemtic Name: 2-(6-tert-butyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]ethyl]ethanamide Openeye Name: 2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]ethyl]acetamide CAS Name: 2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]ethyl]acetamide IUPAC Name: 2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]ethyl]acetamide Traditional Name: 2-(6-tert-butyl-3-keto-1,4-benzoxazin-4-yl)-N-[2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]ethyl]acetamide Formula: C26H34FN4O3+ MolecularWeight: 469.571563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CC(=O)NCC[NH+]3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CC(=O)NCC[NH+]3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C26H33FN4O3/c1-26(2,3)19-8-9-23-22(16-19)31(25(33)18-34-23)17-24(32)28-10-11-29-12-14-30(15-13-29)21-7-5-4-6-20(21)27/h4-9,16H,10-15,17-18H2,1-3H3,(H,28,32)/p+1