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

Systemtic Name: 3-oxidanylidene-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-4H-1,4-benzothiazine-6-carboxamide Openeye Name: 3-oxo-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-4H-1,4-benzothiazine-6-carboxamide CAS Name: 3-oxo-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: 3-oxo-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-4H-1,4-benzothiazine-6-carboxamide Traditional Name: 3-keto-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]-4H-1,4-benzothiazine-6-carboxamide Formula: C22H26N3O2S+ MolecularWeight: 396.52574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=CC4=C(C=C3)SCC(=O)N4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=CC4=C(C=C3)SCC(=O)N4

InChI

InChI=1S/C22H25N3O2S/c26-21-15-28-20-9-8-18(12-19(20)24-21)22(27)23-13-16-4-6-17(7-5-16)14-25-10-2-1-3-11-25/h4-9,12H,1-3,10-11,13-15H2,(H,23,27)(H,24,26)/p+1