2-[2-[2-[(2-fluorophenyl)methylidene]-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanoylamino]ethyl-methyl-phenethyl-azanium

Systemtic Name: 2-[2-[2-[(2-fluorophenyl)methylidene]-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanoylamino]ethyl-methyl-phenethyl-azanium Openeye Name: 2-[[2-[2-[(2-fluorophenyl)methylene]-3-oxo-1,4-benzoxazin-4-yl]acetyl]amino]ethyl-methyl-phenethyl-ammonium CAS Name: 2-[[2-[2-[(2-fluorophenyl)methylidene]-3-oxo-1,4-benzoxazin-4-yl]-1-oxoethyl]amino]ethyl-methyl-phenethylammonium IUPAC Name: 2-[[2-[2-[(2-fluorophenyl)methylidene]-3-oxo-1,4-benzoxazin-4-yl]acetyl]amino]ethyl-methyl-phenethylazanium Traditional Name: 2-[[2-[2-(2-fluorobenzylidene)-3-keto-1,4-benzoxazin-4-yl]acetyl]amino]ethyl-methyl-phenethyl-ammonium Formula: C28H29FN3O3+ MolecularWeight: 474.546563

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=C1)CCNC(=O)CN2C3=CC=CC=C3OC(=CC4=CC=CC=C4F)C2=O

Isomeric SMILES

C[NH+](CCC1=CC=CC=C1)CCNC(=O)CN2C3=CC=CC=C3OC(=CC4=CC=CC=C4F)C2=O

InChI

InChI=1S/C28H28FN3O3/c1-31(17-15-21-9-3-2-4-10-21)18-16-30-27(33)20-32-24-13-7-8-14-25(24)35-26(28(32)34)19-22-11-5-6-12-23(22)29/h2-14,19H,15-18,20H2,1H3,(H,30,33)/p+1