(4-bromophenyl)methyl-methyl-[2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl]azanium

Systemtic Name: (4-bromophenyl)methyl-methyl-[2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl]azanium Openeye Name: (4-bromophenyl)methyl-methyl-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]ammonium CAS Name: (4-bromophenyl)methyl-methyl-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]ammonium IUPAC Name: (4-bromophenyl)methyl-methyl-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]azanium Traditional Name: (4-bromobenzyl)-[2-keto-2-(3-keto-4H-1,4-benzoxazin-6-yl)ethyl]-methyl-ammonium Formula: C18H18BrN2O3+ MolecularWeight: 390.25112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)Br)CC(=O)C2=CC3=C(C=C2)OCC(=O)N3

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)Br)CC(=O)C2=CC3=C(C=C2)OCC(=O)N3

InChI

InChI=1S/C18H17BrN2O3/c1-21(9-12-2-5-14(19)6-3-12)10-16(22)13-4-7-17-15(8-13)20-18(23)11-24-17/h2-8H,9-11H2,1H3,(H,20,23)/p+1