2-(3-oxidanylidene-1,4-benzothiazin-4-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]ethanamide

Systemtic Name: 2-(3-oxidanylidene-1,4-benzothiazin-4-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]ethanamide Openeye Name: 2-(3-oxo-1,4-benzothiazin-4-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide CAS Name: 2-(3-oxo-1,4-benzothiazin-4-yl)-N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]acetamide IUPAC Name: 2-(3-oxo-1,4-benzothiazin-4-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide Traditional Name: 2-(3-keto-1,4-benzothiazin-4-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide Formula: C22H32N3O2S+ MolecularWeight: 402.57338

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)CN2C(=O)CSC3=CC=CC=C32)[NH+]4CCCCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)CN2C(=O)CSC3=CC=CC=C32)[NH+]4CCCCC4

InChI

InChI=1S/C22H31N3O2S/c26-20(15-25-18-9-3-4-10-19(18)28-16-21(25)27)23-17-22(11-5-1-6-12-22)24-13-7-2-8-14-24/h3-4,9-10H,1-2,5-8,11-17H2,(H,23,26)/p+1