diethyl-[[2-[[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)carbonylamino]methyl]phenyl]methyl]azanium

Systemtic Name: diethyl-[[2-[[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)carbonylamino]methyl]phenyl]methyl]azanium Openeye Name: diethyl-[[2-[[(3-oxo-4H-1,4-benzoxazine-6-carbonyl)amino]methyl]phenyl]methyl]ammonium CAS Name: diethyl-[[2-[[[oxo-(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: diethyl-[[2-[[(3-oxo-4H-1,4-benzoxazine-6-carbonyl)amino]methyl]phenyl]methyl]azanium Traditional Name: diethyl-[2-[[(3-keto-4H-1,4-benzoxazine-6-carbonyl)amino]methyl]benzyl]ammonium Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)C2=CC3=C(C=C2)OCC(=O)N3

Isomeric SMILES

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)C2=CC3=C(C=C2)OCC(=O)N3

InChI

InChI=1S/C21H25N3O3/c1-3-24(4-2)13-17-8-6-5-7-16(17)12-22-21(26)15-9-10-19-18(11-15)23-20(25)14-27-19/h5-11H,3-4,12-14H2,1-2H3,(H,22,26)(H,23,25)/p+1