N-(3-morpholin-4-ium-4-ylpropyl)-3-[(3-oxidanylidene-1,4-benzothiazin-4-yl)methyl]benzamide

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-3-[(3-oxidanylidene-1,4-benzothiazin-4-yl)methyl]benzamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-3-[(3-oxo-1,4-benzothiazin-4-yl)methyl]benzamide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-3-[(3-oxo-1,4-benzothiazin-4-yl)methyl]benzamide IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-3-[(3-oxo-1,4-benzothiazin-4-yl)methyl]benzamide Traditional Name: 3-[(3-keto-1,4-benzothiazin-4-yl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Formula: C23H28N3O3S+ MolecularWeight: 426.55172

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C2=CC(=CC=C2)CN3C(=O)CSC4=CC=CC=C43

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)C2=CC(=CC=C2)CN3C(=O)CSC4=CC=CC=C43

InChI

InChI=1S/C23H27N3O3S/c27-22-17-30-21-8-2-1-7-20(21)26(22)16-18-5-3-6-19(15-18)23(28)24-9-4-10-25-11-13-29-14-12-25/h1-3,5-8,15H,4,9-14,16-17H2,(H,24,28)/p+1