diethyl-[(1S)-1-(3-methoxyphenyl)-2-[(3-oxidanylidene-4H-1,4-benzoxazin-7-yl)carbonylamino]ethyl]azanium

Systemtic Name: diethyl-[(1S)-1-(3-methoxyphenyl)-2-[(3-oxidanylidene-4H-1,4-benzoxazin-7-yl)carbonylamino]ethyl]azanium Openeye Name: diethyl-[(1S)-1-(3-methoxyphenyl)-2-[(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]ethyl]ammonium CAS Name: diethyl-[(1S)-1-(3-methoxyphenyl)-2-[[oxo-(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]amino]ethyl]ammonium IUPAC Name: diethyl-[(1S)-1-(3-methoxyphenyl)-2-[(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]ethyl]azanium Traditional Name: diethyl-[(1S)-2-[(3-keto-4H-1,4-benzoxazine-7-carbonyl)amino]-1-(3-methoxyphenyl)ethyl]ammonium Formula: C22H28N3O4+ MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CNC(=O)C1=CC2=C(C=C1)NC(=O)CO2)C3=CC(=CC=C3)OC

Isomeric SMILES

CC[NH+](CC)[C@H](CNC(=O)C1=CC2=C(C=C1)NC(=O)CO2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C22H27N3O4/c1-4-25(5-2)19(15-7-6-8-17(11-15)28-3)13-23-22(27)16-9-10-18-20(12-16)29-14-21(26)24-18/h6-12,19H,4-5,13-14H2,1-3H3,(H,23,27)(H,24,26)/p+1/t19-/m1/s1