3-(3-oxidanylidene-1,4-benzothiazin-4-yl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide

Systemtic Name: 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-(3-oxo-1,4-benzothiazin-4-yl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-(3-oxo-1,4-benzothiazin-4-yl)-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(3-oxo-1,4-benzothiazin-4-yl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-(3-keto-1,4-benzothiazin-4-yl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]propionamide Formula: C23H28N3O2S+ MolecularWeight: 410.55232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)CCN3C(=O)CSC4=CC=CC=C43

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)CCN3C(=O)CSC4=CC=CC=C43

InChI

InChI=1S/C23H27N3O2S/c27-22(11-14-26-20-5-1-2-6-21(20)29-17-23(26)28)24-15-18-7-9-19(10-8-18)16-25-12-3-4-13-25/h1-2,5-10H,3-4,11-17H2,(H,24,27)/p+1