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

Systemtic Name: 4-[(2,5-dimethylphenyl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)-3-oxidanylidene-1,4-benzothiazine-6-carboxamide Openeye Name: 4-[(2,5-dimethylphenyl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)-3-oxo-1,4-benzothiazine-6-carboxamide CAS Name: 4-[(2,5-dimethylphenyl)methyl]-N-[3-(4-morpholin-4-iumyl)propyl]-3-oxo-1,4-benzothiazine-6-carboxamide IUPAC Name: 4-[(2,5-dimethylphenyl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)-3-oxo-1,4-benzothiazine-6-carboxamide Traditional Name: 4-(2,5-dimethylbenzyl)-3-keto-N-(3-morpholin-4-ium-4-ylpropyl)-1,4-benzothiazine-6-carboxamide Formula: C25H32N3O3S+ MolecularWeight: 454.60488

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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)NCCC[NH+]4CCOCC4

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O3S/c1-18-4-5-19(2)21(14-18)16-28-22-15-20(6-7-23(22)32-17-24(28)29)25(30)26-8-3-9-27-10-12-31-13-11-27/h4-7,14-15H,3,8-13,16-17H2,1-2H3,(H,26,30)/p+1