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

Systemtic Name: N-[(4-ethylphenyl)methyl]-2-morpholin-4-ium-4-yl-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxamide Openeye Name: N-[(4-ethylphenyl)methyl]-2-morpholin-4-ium-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide CAS Name: N-[(4-ethylphenyl)methyl]-2-(4-morpholin-4-iumyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: N-[(4-ethylphenyl)methyl]-2-morpholin-4-ium-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide Traditional Name: N-(4-ethylbenzyl)-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:

CCC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)SC(C(=O)N3)[NH+]4CCOCC4

Isomeric SMILES

CCC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)SC(C(=O)N3)[NH+]4CCOCC4

InChI

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