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

Systemtic Name: 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]propanamide Openeye Name: 3-(3-oxo-1,4-benzothiazin-4-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]propanamide CAS Name: 3-(3-oxo-1,4-benzothiazin-4-yl)-N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]propanamide IUPAC Name: 3-(3-oxo-1,4-benzothiazin-4-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]propanamide Traditional Name: 3-(3-keto-1,4-benzothiazin-4-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]propionamide Formula: C23H34N3O2S+ MolecularWeight: 416.59996

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)CCN2C(=O)CSC3=CC=CC=C32)[NH+]4CCCCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)CCN2C(=O)CSC3=CC=CC=C32)[NH+]4CCCCC4

InChI

InChI=1S/C23H33N3O2S/c27-21(11-16-26-19-9-3-4-10-20(19)29-17-22(26)28)24-18-23(12-5-1-6-13-23)25-14-7-2-8-15-25/h3-4,9-10H,1-2,5-8,11-18H2,(H,24,27)/p+1