butyl-[3-[2-(3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]propyl]-(phenylmethyl)azanium

Systemtic Name: butyl-[3-[2-(3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]propyl]-(phenylmethyl)azanium Openeye Name: benzyl-butyl-[3-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]propyl]ammonium CAS Name: butyl-[3-[[1-oxo-2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]amino]propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-butyl-[3-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]propyl]azanium Traditional Name: benzyl-butyl-[3-[[2-(3-keto-1,4-benzoxazin-4-yl)acetyl]amino]propyl]ammonium Formula: C24H32N3O3+ MolecularWeight: 410.52918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCNC(=O)CN1C(=O)COC2=CC=CC=C21)CC3=CC=CC=C3

Isomeric SMILES

CCCC[NH+](CCCNC(=O)CN1C(=O)COC2=CC=CC=C21)CC3=CC=CC=C3

InChI

InChI=1S/C24H31N3O3/c1-2-3-15-26(17-20-10-5-4-6-11-20)16-9-14-25-23(28)18-27-21-12-7-8-13-22(21)30-19-24(27)29/h4-8,10-13H,2-3,9,14-19H2,1H3,(H,25,28)/p+1