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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)CCN2C(=O)CSC3=CC=CC=C32

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)CCN2C(=O)CSC3=CC=CC=C32

InChI

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