3-oxidanylidene-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-4H-1,4-benzothiazine-6-carboxamide

Systemtic Name: 3-oxidanylidene-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-4H-1,4-benzothiazine-6-carboxamide Openeye Name: 3-oxo-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-4H-1,4-benzothiazine-6-carboxamide CAS Name: 3-oxo-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: 3-oxo-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-4H-1,4-benzothiazine-6-carboxamide Traditional Name: 3-keto-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]-4H-1,4-benzothiazine-6-carboxamide Formula: C21H24N3O2S+ MolecularWeight: 382.49916

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3=CC4=C(C=C3)SCC(=O)N4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3=CC4=C(C=C3)SCC(=O)N4

InChI

InChI=1S/C21H23N3O2S/c25-20-14-27-19-8-7-15(11-18(19)23-20)21(26)22-12-16-5-1-2-6-17(16)13-24-9-3-4-10-24/h1-2,5-8,11H,3-4,9-10,12-14H2,(H,22,26)(H,23,25)/p+1