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

Systemtic Name: 2-[[4-[(2,5-dimethylphenyl)methyl]-3-oxidanylidene-1,4-benzothiazin-6-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-[(2,5-dimethylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[4-[(2,5-dimethylphenyl)methyl]-3-oxo-1,4-benzothiazin-6-yl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[4-[(2,5-dimethylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[4-(2,5-dimethylbenzyl)-3-keto-1,4-benzothiazine-6-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C(=O)CSC3=C2C=C(C=C3)C(=O)NCC[NH+](C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C(=O)CSC3=C2C=C(C=C3)C(=O)NCC[NH+](C)C

InChI

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