1-pyrrolidin-1-yl-3-[1-(thian-4-yl)piperidin-1-ium-4-yl]propan-1-one

Systemtic Name: 1-pyrrolidin-1-yl-3-[1-(thian-4-yl)piperidin-1-ium-4-yl]propan-1-one Openeye Name: 1-pyrrolidin-1-yl-3-(1-tetrahydrothiopyran-4-ylpiperidin-1-ium-4-yl)propan-1-one CAS Name: 1-(1-pyrrolidinyl)-3-[1-(4-thianyl)-4-piperidin-1-iumyl]-1-propanone IUPAC Name: 1-pyrrolidin-1-yl-3-[1-(thian-4-yl)piperidin-1-ium-4-yl]propan-1-one Traditional Name: 1-pyrrolidino-3-(1-tetrahydrothiopyran-4-ylpiperidin-1-ium-4-yl)propan-1-one Formula: C17H31N2OS+ MolecularWeight: 311.50584

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CCC2CC[NH+](CC2)C3CCSCC3

Isomeric SMILES

C1CCN(C1)C(=O)CCC2CC[NH+](CC2)C3CCSCC3

InChI

InChI=1S/C17H30N2OS/c20-17(19-9-1-2-10-19)4-3-15-5-11-18(12-6-15)16-7-13-21-14-8-16/h15-16H,1-14H2/p+1