3-(3-oxidanylidene-1,4-benzothiazin-4-yl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide

Systemtic Name: 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-(3-oxo-1,4-benzothiazin-4-yl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-(3-oxo-1,4-benzothiazin-4-yl)-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(3-oxo-1,4-benzothiazin-4-yl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-(3-keto-1,4-benzothiazin-4-yl)-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]propionamide Formula: C23H28N3O2S+ MolecularWeight: 410.55232

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)CCN3C(=O)CSC4=CC=CC=C43

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)CCN3C(=O)CSC4=CC=CC=C43

InChI

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