N-(2-morpholin-4-ium-4-ylethyl)-3-oxidanylidene-4-(phenylmethyl)-1,4-benzothiazine-6-carboxamide

Systemtic Name: N-(2-morpholin-4-ium-4-ylethyl)-3-oxidanylidene-4-(phenylmethyl)-1,4-benzothiazine-6-carboxamide Openeye Name: 4-benzyl-N-(2-morpholin-4-ium-4-ylethyl)-3-oxo-1,4-benzothiazine-6-carboxamide CAS Name: N-[2-(4-morpholin-4-iumyl)ethyl]-3-oxo-4-(phenylmethyl)-1,4-benzothiazine-6-carboxamide IUPAC Name: 4-benzyl-N-(2-morpholin-4-ium-4-ylethyl)-3-oxo-1,4-benzothiazine-6-carboxamide Traditional Name: 4-benzyl-3-keto-N-(2-morpholin-4-ium-4-ylethyl)-1,4-benzothiazine-6-carboxamide Formula: C22H26N3O3S+ MolecularWeight: 412.52514

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=O)C2=CC3=C(C=C2)SCC(=O)N3CC4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCNC(=O)C2=CC3=C(C=C2)SCC(=O)N3CC4=CC=CC=C4

InChI

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