3-[[4-[(2,5-dimethylphenyl)methyl]-3-oxidanylidene-1,4-benzothiazin-6-yl]carbonylamino]propyl-diethyl-azanium

Systemtic Name: 3-[[4-[(2,5-dimethylphenyl)methyl]-3-oxidanylidene-1,4-benzothiazin-6-yl]carbonylamino]propyl-diethyl-azanium Openeye Name: 3-[[4-[(2,5-dimethylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carbonyl]amino]propyl-diethyl-ammonium CAS Name: 3-[[[4-[(2,5-dimethylphenyl)methyl]-3-oxo-1,4-benzothiazin-6-yl]-oxomethyl]amino]propyl-diethylammonium IUPAC Name: 3-[[4-[(2,5-dimethylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carbonyl]amino]propyl-diethylazanium Traditional Name: 3-[[4-(2,5-dimethylbenzyl)-3-keto-1,4-benzothiazine-6-carbonyl]amino]propyl-diethyl-ammonium Formula: C25H34N3O2S+ MolecularWeight: 440.62136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O2S/c1-5-27(6-2)13-7-12-26-25(30)20-10-11-23-22(15-20)28(24(29)17-31-23)16-21-14-18(3)8-9-19(21)4/h8-11,14-15H,5-7,12-13,16-17H2,1-4H3,(H,26,30)/p+1