4-[(2,5-dimethylphenyl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)-3-oxidanylidene-1,4-benzothiazine-6-carboxamide

Systemtic Name: 4-[(2,5-dimethylphenyl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)-3-oxidanylidene-1,4-benzothiazine-6-carboxamide Openeye Name: 4-[(2,5-dimethylphenyl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)-3-oxo-1,4-benzothiazine-6-carboxamide CAS Name: 4-[(2,5-dimethylphenyl)methyl]-N-[2-(4-morpholin-4-iumyl)ethyl]-3-oxo-1,4-benzothiazine-6-carboxamide IUPAC Name: 4-[(2,5-dimethylphenyl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)-3-oxo-1,4-benzothiazine-6-carboxamide Traditional Name: 4-(2,5-dimethylbenzyl)-3-keto-N-(2-morpholin-4-ium-4-ylethyl)-1,4-benzothiazine-6-carboxamide Formula: C24H30N3O3S+ MolecularWeight: 440.5783

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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+]4CCOCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C(=O)CSC3=C2C=C(C=C3)C(=O)NCC[NH+]4CCOCC4

InChI

InChI=1S/C24H29N3O3S/c1-17-3-4-18(2)20(13-17)15-27-21-14-19(5-6-22(21)31-16-23(27)28)24(29)25-7-8-26-9-11-30-12-10-26/h3-6,13-14H,7-12,15-16H2,1-2H3,(H,25,29)/p+1