2-[2-[(3-bromanyl-4-methoxy-phenyl)methylidene]-3-oxidanylidene-1,4-benzothiazin-4-yl]-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]ethanamide

Systemtic Name: 2-[2-[(3-bromanyl-4-methoxy-phenyl)methylidene]-3-oxidanylidene-1,4-benzothiazin-4-yl]-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]ethanamide Openeye Name: 2-[2-[(3-bromo-4-methoxy-phenyl)methylene]-3-oxo-1,4-benzothiazin-4-yl]-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]acetamide CAS Name: 2-[2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]-N-[(1-ethyl-2-pyrrolidin-1-iumyl)methyl]acetamide IUPAC Name: 2-[2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]acetamide Traditional Name: 2-[2-(3-bromo-4-methoxy-benzylidene)-3-keto-1,4-benzothiazin-4-yl]-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]acetamide Formula: C25H29BrN3O3S+ MolecularWeight: 531.48506

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)CN2C3=CC=CC=C3SC(=CC4=CC(=C(C=C4)OC)Br)C2=O

Isomeric SMILES

CC[NH+]1CCCC1CNC(=O)CN2C3=CC=CC=C3SC(=CC4=CC(=C(C=C4)OC)Br)C2=O

InChI

InChI=1S/C25H28BrN3O3S/c1-3-28-12-6-7-18(28)15-27-24(30)16-29-20-8-4-5-9-22(20)33-23(25(29)31)14-17-10-11-21(32-2)19(26)13-17/h4-5,8-11,13-14,18H,3,6-7,12,15-16H2,1-2H3,(H,27,30)/p+1