2-morpholin-4-ium-4-yl-3-oxidanylidene-N-(3-piperidin-1-ium-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide

Systemtic Name: 2-morpholin-4-ium-4-yl-3-oxidanylidene-N-(3-piperidin-1-ium-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide Openeye Name: 2-morpholin-4-ium-4-yl-3-oxo-N-(3-piperidin-1-ium-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide CAS Name: 2-(4-morpholin-4-iumyl)-3-oxo-N-[3-(1-piperidin-1-iumyl)propyl]-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: 2-morpholin-4-ium-4-yl-3-oxo-N-(3-piperidin-1-ium-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide Traditional Name: 3-keto-2-morpholin-4-ium-4-yl-N-(3-piperidin-1-ium-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide Formula: C21H32N4O3S+2 MolecularWeight: 420.56878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCNC(=O)C2=CC3=C(C=C2)SC(C(=O)N3)[NH+]4CCOCC4

Isomeric SMILES

C1CC[NH+](CC1)CCCNC(=O)C2=CC3=C(C=C2)SC(C(=O)N3)[NH+]4CCOCC4

InChI

InChI=1S/C21H30N4O3S/c26-19(22-7-4-10-24-8-2-1-3-9-24)16-5-6-18-17(15-16)23-20(27)21(29-18)25-11-13-28-14-12-25/h5-6,15,21H,1-4,7-14H2,(H,22,26)(H,23,27)/p+2