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

Systemtic Name: 2-[2-[2-[(3-fluorophenyl)methylidene]-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanoylamino]ethyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[[2-[2-[(3-fluorophenyl)methylene]-3-oxo-1,4-benzoxazin-4-yl]acetyl]amino]ethyl]-methyl-ammonium CAS Name: 2-[[2-[2-[(3-fluorophenyl)methylidene]-3-oxo-1,4-benzoxazin-4-yl]-1-oxoethyl]amino]ethyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[[2-[2-[(3-fluorophenyl)methylidene]-3-oxo-1,4-benzoxazin-4-yl]acetyl]amino]ethyl]-methylazanium Traditional Name: benzyl-[2-[[2-[2-(3-fluorobenzylidene)-3-keto-1,4-benzoxazin-4-yl]acetyl]amino]ethyl]-methyl-ammonium Formula: C27H27FN3O3+ MolecularWeight: 460.519983

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCNC(=O)CN1C2=CC=CC=C2OC(=CC3=CC(=CC=C3)F)C1=O)CC4=CC=CC=C4

Isomeric SMILES

C[NH+](CCNC(=O)CN1C2=CC=CC=C2OC(=CC3=CC(=CC=C3)F)C1=O)CC4=CC=CC=C4

InChI

InChI=1S/C27H26FN3O3/c1-30(18-20-8-3-2-4-9-20)15-14-29-26(32)19-31-23-12-5-6-13-24(23)34-25(27(31)33)17-21-10-7-11-22(28)16-21/h2-13,16-17H,14-15,18-19H2,1H3,(H,29,32)/p+1