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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)SC(C(=O)N3)[NH+]4CCOCC4

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)SC(C(=O)N3)[NH+]4CCOCC4

InChI

InChI=1S/C22H25N3O3S/c1-2-24(15-16-6-4-3-5-7-16)21(27)17-8-9-19-18(14-17)23-20(26)22(29-19)25-10-12-28-13-11-25/h3-9,14,22H,2,10-13,15H2,1H3,(H,23,26)/p+1