1-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]-2-thiophen-2-yl-ethanone

Systemtic Name: 1-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]-2-thiophen-2-yl-ethanone Openeye Name: 1-[(3R)-3-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]-2-(2-thienyl)ethanone CAS Name: 1-[(3R)-3-[1-(3-pyridinylmethyl)-4-piperidin-1-iumyl]-1-pyrrolidinyl]-2-thiophen-2-ylethanone IUPAC Name: 1-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]-2-thiophen-2-ylethanone Traditional Name: 1-[(3R)-3-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrrolidino]-2-(2-thienyl)ethanone Formula: C21H28N3OS+ MolecularWeight: 370.53152

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2CCN(C2)C(=O)CC3=CC=CS3)CC4=CN=CC=C4

Isomeric SMILES

C1CN(C[C@H]1C2CC[NH+](CC2)CC3=CN=CC=C3)C(=O)CC4=CC=CS4

InChI

InChI=1S/C21H27N3OS/c25-21(13-20-4-2-12-26-20)24-11-7-19(16-24)18-5-9-23(10-6-18)15-17-3-1-8-22-14-17/h1-4,8,12,14,18-19H,5-7,9-11,13,15-16H2/p+1/t19-/m0/s1