diethyl-[[2-[[2-(3-oxidanylidene-1,4-benzothiazin-4-yl)ethanoylamino]methyl]phenyl]methyl]azanium

Systemtic Name: diethyl-[[2-[[2-(3-oxidanylidene-1,4-benzothiazin-4-yl)ethanoylamino]methyl]phenyl]methyl]azanium Openeye Name: diethyl-[[2-[[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]methyl]phenyl]methyl]ammonium CAS Name: diethyl-[[2-[[[1-oxo-2-(3-oxo-1,4-benzothiazin-4-yl)ethyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: diethyl-[[2-[[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]methyl]phenyl]methyl]azanium Traditional Name: diethyl-[2-[[[2-(3-keto-1,4-benzothiazin-4-yl)acetyl]amino]methyl]benzyl]ammonium Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)CN2C(=O)CSC3=CC=CC=C32

Isomeric SMILES

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)CN2C(=O)CSC3=CC=CC=C32

InChI

InChI=1S/C22H27N3O2S/c1-3-24(4-2)14-18-10-6-5-9-17(18)13-23-21(26)15-25-19-11-7-8-12-20(19)28-16-22(25)27/h5-12H,3-4,13-16H2,1-2H3,(H,23,26)/p+1