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

Systemtic Name: N-methyl-2-morpholin-4-ium-4-yl-3-oxidanylidene-N-(phenylmethyl)-4H-1,4-benzothiazine-6-carboxamide Openeye Name: N-benzyl-N-methyl-2-morpholin-4-ium-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide CAS Name: N-methyl-2-(4-morpholin-4-iumyl)-3-oxo-N-(phenylmethyl)-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: N-benzyl-N-methyl-2-morpholin-4-ium-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide Traditional Name: N-benzyl-3-keto-N-methyl-2-morpholin-4-ium-4-yl-4H-1,4-benzothiazine-6-carboxamide Formula: C21H24N3O3S+ MolecularWeight: 398.49856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S/c1-23(14-15-5-3-2-4-6-15)20(26)16-7-8-18-17(13-16)22-19(25)21(28-18)24-9-11-27-12-10-24/h2-8,13,21H,9-12,14H2,1H3,(H,22,25)/p+1