3-oxidanylidene-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]-4H-1,4-benzothiazine-6-carboxamide

Systemtic Name: 3-oxidanylidene-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]-4H-1,4-benzothiazine-6-carboxamide Openeye Name: 3-oxo-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]-4H-1,4-benzothiazine-6-carboxamide CAS Name: 3-oxo-N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: 3-oxo-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]-4H-1,4-benzothiazine-6-carboxamide Traditional Name: 3-keto-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]-4H-1,4-benzothiazine-6-carboxamide Formula: C21H30N3O2S+ MolecularWeight: 388.5468

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)C2=CC3=C(C=C2)SCC(=O)N3)[NH+]4CCCCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)C2=CC3=C(C=C2)SCC(=O)N3)[NH+]4CCCCC4

InChI

InChI=1S/C21H29N3O2S/c25-19-14-27-18-8-7-16(13-17(18)23-19)20(26)22-15-21(9-3-1-4-10-21)24-11-5-2-6-12-24/h7-8,13H,1-6,9-12,14-15H2,(H,22,26)(H,23,25)/p+1