N-(1,3-benzodioxol-5-ylmethyl)-2-morpholin-4-ium-4-yl-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-morpholin-4-ium-4-yl-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-morpholin-4-ium-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-morpholin-4-iumyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-morpholin-4-ium-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide Traditional Name: 3-keto-2-morpholin-4-ium-4-yl-N-piperonyl-4H-1,4-benzothiazine-6-carboxamide Formula: C21H22N3O5S+ MolecularWeight: 428.48148

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C2C(=O)NC3=C(S2)C=CC(=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1COCC[NH+]1C2C(=O)NC3=C(S2)C=CC(=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H21N3O5S/c25-19(22-11-13-1-3-16-17(9-13)29-12-28-16)14-2-4-18-15(10-14)23-20(26)21(30-18)24-5-7-27-8-6-24/h1-4,9-10,21H,5-8,11-12H2,(H,22,25)(H,23,26)/p+1