1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]piperidine-4-carboxamide

Systemtic Name: 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]piperidine-4-carboxamide Openeye Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]piperidine-4-carboxamide CAS Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]piperidine-4-carboxamide Traditional Name: 1-(1,1-diketo-1,2-benzothiazol-3-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]isonipecotamide Formula: C25H37N4O3S+ MolecularWeight: 473.65128

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)C2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43)[NH+]5CCCCC5

Isomeric SMILES

C1CCC(CC1)(CNC(=O)C2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43)[NH+]5CCCCC5

InChI

InChI=1S/C25H36N4O3S/c30-24(26-19-25(13-5-1-6-14-25)29-15-7-2-8-16-29)20-11-17-28(18-12-20)23-21-9-3-4-10-22(21)33(31,32)27-23/h3-4,9-10,20H,1-2,5-8,11-19H2,(H,26,30)/p+1