diethyl-[[4-[[(3-oxidanylidene-4H-1,4-benzoxazin-7-yl)carbonylamino]methyl]phenyl]methyl]azanium

Systemtic Name: diethyl-[[4-[[(3-oxidanylidene-4H-1,4-benzoxazin-7-yl)carbonylamino]methyl]phenyl]methyl]azanium Openeye Name: diethyl-[[4-[[(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]methyl]phenyl]methyl]ammonium CAS Name: diethyl-[[4-[[[oxo-(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: diethyl-[[4-[[(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]methyl]phenyl]methyl]azanium Traditional Name: diethyl-[4-[[(3-keto-4H-1,4-benzoxazine-7-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=C(C=C1)CNC(=O)C2=CC3=C(C=C2)NC(=O)CO3

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)NC(=O)CO3

InChI

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