2-[3-oxidanylidene-2-(phenylmethylidene)-1,4-benzothiazin-4-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)ethanamide

Systemtic Name: 2-[3-oxidanylidene-2-(phenylmethylidene)-1,4-benzothiazin-4-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)ethanamide Openeye Name: 2-(2-benzylidene-3-oxo-1,4-benzothiazin-4-yl)-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide CAS Name: 2-[3-oxo-2-(phenylmethylene)-1,4-benzothiazin-4-yl]-N-[2-(1-pyrrolidin-1-iumyl)ethyl]acetamide IUPAC Name: 2-(2-benzylidene-3-oxo-1,4-benzothiazin-4-yl)-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide Traditional Name: 2-(2-benzal-3-keto-1,4-benzothiazin-4-yl)-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide Formula: C23H26N3O2S+ MolecularWeight: 408.53644

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCNC(=O)CN2C3=CC=CC=C3SC(=CC4=CC=CC=C4)C2=O

Isomeric SMILES

C1CC[NH+](C1)CCNC(=O)CN2C3=CC=CC=C3SC(=CC4=CC=CC=C4)C2=O

InChI

InChI=1S/C23H25N3O2S/c27-22(24-12-15-25-13-6-7-14-25)17-26-19-10-4-5-11-20(19)29-21(23(26)28)16-18-8-2-1-3-9-18/h1-5,8-11,16H,6-7,12-15,17H2,(H,24,27)/p+1