N-(2-morpholin-4-ium-4-ylethyl)-4-[(3-oxidanylidene-1,4-benzothiazin-4-yl)methyl]benzamide

Systemtic Name: N-(2-morpholin-4-ium-4-ylethyl)-4-[(3-oxidanylidene-1,4-benzothiazin-4-yl)methyl]benzamide Openeye Name: N-(2-morpholin-4-ium-4-ylethyl)-4-[(3-oxo-1,4-benzothiazin-4-yl)methyl]benzamide CAS Name: N-[2-(4-morpholin-4-iumyl)ethyl]-4-[(3-oxo-1,4-benzothiazin-4-yl)methyl]benzamide IUPAC Name: N-(2-morpholin-4-ium-4-ylethyl)-4-[(3-oxo-1,4-benzothiazin-4-yl)methyl]benzamide Traditional Name: 4-[(3-keto-1,4-benzothiazin-4-yl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide Formula: C22H26N3O3S+ MolecularWeight: 412.52514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3S/c26-21-16-29-20-4-2-1-3-19(20)25(21)15-17-5-7-18(8-6-17)22(27)23-9-10-24-11-13-28-14-12-24/h1-8H,9-16H2,(H,23,27)/p+1