N-[[(3R)-1-[1-(4-fluorophenyl)piperidin-4-yl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide

Systemtic Name: N-[[(3R)-1-[1-(4-fluorophenyl)piperidin-4-yl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Openeye Name: N-[[(3R)-1-[1-(4-fluorophenyl)-4-piperidyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide CAS Name: N-[[(3R)-1-[1-(4-fluorophenyl)-4-piperidinyl]-3-piperidin-1-iumyl]methyl]-2-thiophenecarboxamide IUPAC Name: N-[[(3R)-1-[1-(4-fluorophenyl)piperidin-4-yl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Traditional Name: N-[[(3R)-1-[1-(4-fluorophenyl)-4-piperidyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Formula: C22H29FN3OS+ MolecularWeight: 402.548563

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCN(CC2)C3=CC=C(C=C3)F)CNC(=O)C4=CC=CS4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCN(CC2)C3=CC=C(C=C3)F)CNC(=O)C4=CC=CS4

InChI

InChI=1S/C22H28FN3OS/c23-18-5-7-19(8-6-18)25-12-9-20(10-13-25)26-11-1-3-17(16-26)15-24-22(27)21-4-2-14-28-21/h2,4-8,14,17,20H,1,3,9-13,15-16H2,(H,24,27)/p+1/t17-/m1/s1