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

Systemtic Name: diethyl-[[2-[[3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoylamino]methyl]phenyl]methyl]azanium Openeye Name: diethyl-[[2-[[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]methyl]phenyl]methyl]ammonium CAS Name: diethyl-[[2-[[[1-oxo-3-(3-oxo-1,4-benzothiazin-4-yl)propyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: diethyl-[[2-[[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]methyl]phenyl]methyl]azanium Traditional Name: diethyl-[2-[[3-(3-keto-1,4-benzothiazin-4-yl)propanoylamino]methyl]benzyl]ammonium Formula: C23H30N3O2S+ MolecularWeight: 412.5682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)CCN2C(=O)CSC3=CC=CC=C32

Isomeric SMILES

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)CCN2C(=O)CSC3=CC=CC=C32

InChI

InChI=1S/C23H29N3O2S/c1-3-25(4-2)16-19-10-6-5-9-18(19)15-24-22(27)13-14-26-20-11-7-8-12-21(20)29-17-23(26)28/h5-12H,3-4,13-17H2,1-2H3,(H,24,27)/p+1