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

Systemtic Name: N-(2-methylcyclohexyl)-3-oxidanylidene-2-piperidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide Openeye Name: N-(2-methylcyclohexyl)-3-oxo-2-piperidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide CAS Name: N-(2-methylcyclohexyl)-3-oxo-2-(1-piperidin-1-iumyl)-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: N-(2-methylcyclohexyl)-3-oxo-2-piperidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide Traditional Name: 3-keto-N-(2-methylcyclohexyl)-2-piperidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide Formula: C21H30N3O2S+ MolecularWeight: 388.5468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C2=CC3=C(C=C2)SC(C(=O)N3)[NH+]4CCCCC4

Isomeric SMILES

CC1CCCCC1NC(=O)C2=CC3=C(C=C2)SC(C(=O)N3)[NH+]4CCCCC4

InChI

InChI=1S/C21H29N3O2S/c1-14-7-3-4-8-16(14)22-19(25)15-9-10-18-17(13-15)23-20(26)21(27-18)24-11-5-2-6-12-24/h9-10,13-14,16,21H,2-8,11-12H2,1H3,(H,22,25)(H,23,26)/p+1