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

Systemtic Name: diethyl-[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-diethyl-ammonium CAS Name: diethyl-[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-diethylazanium Traditional Name: 2-[(4-benzyl-3-keto-1,4-benzothiazine-6-carbonyl)amino]ethyl-diethyl-ammonium Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2S/c1-3-24(4-2)13-12-23-22(27)18-10-11-20-19(14-18)25(21(26)16-28-20)15-17-8-6-5-7-9-17/h5-11,14H,3-4,12-13,15-16H2,1-2H3,(H,23,27)/p+1