N-[[(2R)-oxolan-2-yl]methyl]-1-[1-(thian-4-yl)piperidin-1-ium-4-yl]piperidine-4-carboxamide

Systemtic Name: N-[[(2R)-oxolan-2-yl]methyl]-1-[1-(thian-4-yl)piperidin-1-ium-4-yl]piperidine-4-carboxamide Openeye Name: N-[[(2R)-tetrahydrofuran-2-yl]methyl]-1-(1-tetrahydrothiopyran-4-ylpiperidin-1-ium-4-yl)piperidine-4-carboxamide CAS Name: N-[[(2R)-2-oxolanyl]methyl]-1-[1-(4-thianyl)-4-piperidin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-[[(2R)-oxolan-2-yl]methyl]-1-[1-(thian-4-yl)piperidin-1-ium-4-yl]piperidine-4-carboxamide Traditional Name: N-[[(2R)-tetrahydrofuran-2-yl]methyl]-1-(1-tetrahydrothiopyran-4-ylpiperidin-1-ium-4-yl)isonipecotamide Formula: C21H38N3O2S+ MolecularWeight: 396.61032

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C2CCN(CC2)C3CC[NH+](CC3)C4CCSCC4

Isomeric SMILES

C1C[C@@H](OC1)CNC(=O)C2CCN(CC2)C3CC[NH+](CC3)C4CCSCC4

InChI

InChI=1S/C21H37N3O2S/c25-21(22-16-20-2-1-13-26-20)17-3-9-23(10-4-17)18-5-11-24(12-6-18)19-7-14-27-15-8-19/h17-20H,1-16H2,(H,22,25)/p+1/t20-/m1/s1