dimethyl-[3-[[3-oxidanylidene-4-(phenylmethyl)-1,4-benzothiazin-6-yl]carbonylamino]propyl]azanium

Systemtic Name: dimethyl-[3-[[3-oxidanylidene-4-(phenylmethyl)-1,4-benzothiazin-6-yl]carbonylamino]propyl]azanium Openeye Name: 3-[(4-benzyl-3-oxo-1,4-benzothiazine-6-carbonyl)amino]propyl-dimethyl-ammonium CAS Name: dimethyl-[3-[[oxo-[3-oxo-4-(phenylmethyl)-1,4-benzothiazin-6-yl]methyl]amino]propyl]ammonium IUPAC Name: 3-[(4-benzyl-3-oxo-1,4-benzothiazine-6-carbonyl)amino]propyl-dimethylazanium Traditional Name: 3-[(4-benzyl-3-keto-1,4-benzothiazine-6-carbonyl)amino]propyl-dimethyl-ammonium Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)C1=CC2=C(C=C1)SCC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCCNC(=O)C1=CC2=C(C=C1)SCC(=O)N2CC3=CC=CC=C3

InChI

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