dimethyl-[2-[[3-oxidanylidene-4-(phenylmethyl)-1,4-benzothiazin-6-yl]carbonylamino]ethyl]azanium

Systemtic Name: dimethyl-[2-[[3-oxidanylidene-4-(phenylmethyl)-1,4-benzothiazin-6-yl]carbonylamino]ethyl]azanium Openeye Name: 2-[(4-benzyl-3-oxo-1,4-benzothiazine-6-carbonyl)amino]ethyl-dimethyl-ammonium CAS Name: dimethyl-[2-[[oxo-[3-oxo-4-(phenylmethyl)-1,4-benzothiazin-6-yl]methyl]amino]ethyl]ammonium IUPAC Name: 2-[(4-benzyl-3-oxo-1,4-benzothiazine-6-carbonyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4-benzyl-3-keto-1,4-benzothiazine-6-carbonyl)amino]ethyl-dimethyl-ammonium Formula: C20H24N3O2S+ MolecularWeight: 370.48846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O2S/c1-22(2)11-10-21-20(25)16-8-9-18-17(12-16)23(19(24)14-26-18)13-15-6-4-3-5-7-15/h3-9,12H,10-11,13-14H2,1-2H3,(H,21,25)/p+1