N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanamide

Systemtic Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanamide Openeye Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide CAS Name: N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide IUPAC Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide Traditional Name: 3-(3-keto-1,4-benzothiazin-4-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]propionamide Formula: C22H32N3O3S+ MolecularWeight: 418.57278

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)CCN2C(=O)CSC3=CC=CC=C32)[NH+]4CCOCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)CCN2C(=O)CSC3=CC=CC=C32)[NH+]4CCOCC4

InChI

InChI=1S/C22H31N3O3S/c26-20(8-11-25-18-6-2-3-7-19(18)29-16-21(25)27)23-17-22(9-4-1-5-10-22)24-12-14-28-15-13-24/h2-3,6-7H,1,4-5,8-17H2,(H,23,26)/p+1