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

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-[(3-oxidanylidene-1,4-benzothiazin-4-yl)methyl]benzamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-[(3-oxo-1,4-benzothiazin-4-yl)methyl]benzamide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-4-[(3-oxo-1,4-benzothiazin-4-yl)methyl]benzamide IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-[(3-oxo-1,4-benzothiazin-4-yl)methyl]benzamide Traditional Name: 4-[(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=C(C=C2)CN3C(=O)CSC4=CC=CC=C43

Isomeric SMILES

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

InChI

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