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

Systemtic Name: dimethyl-[[4-[[3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoylamino]methyl]phenyl]methyl]azanium Openeye Name: dimethyl-[[4-[[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]methyl]phenyl]methyl]ammonium CAS Name: dimethyl-[[4-[[[1-oxo-3-(3-oxo-1,4-benzothiazin-4-yl)propyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: dimethyl-[[4-[[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]methyl]phenyl]methyl]azanium Traditional Name: [4-[[3-(3-keto-1,4-benzothiazin-4-yl)propanoylamino]methyl]benzyl]-dimethyl-ammonium Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S/c1-23(2)14-17-9-7-16(8-10-17)13-22-20(25)11-12-24-18-5-3-4-6-19(18)27-15-21(24)26/h3-10H,11-15H2,1-2H3,(H,22,25)/p+1