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

Systemtic Name: 2-pyridin-3-yl-1-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]ethanone Openeye Name: 2-(3-pyridyl)-1-[(3R)-3-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]ethanone CAS Name: 2-(3-pyridinyl)-1-[(3R)-3-[1-(3-pyridinylmethyl)-4-piperidin-1-iumyl]-1-pyrrolidinyl]ethanone IUPAC Name: 2-pyridin-3-yl-1-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]ethanone Traditional Name: 2-(3-pyridyl)-1-[(3R)-3-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrrolidino]ethanone Formula: C22H29N4O+ MolecularWeight: 365.49186

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2CCN(C2)C(=O)CC3=CN=CC=C3)CC4=CN=CC=C4

Isomeric SMILES

C1CN(C[C@H]1C2CC[NH+](CC2)CC3=CN=CC=C3)C(=O)CC4=CN=CC=C4

InChI

InChI=1S/C22H28N4O/c27-22(13-18-3-1-8-23-14-18)26-12-7-21(17-26)20-5-10-25(11-6-20)16-19-4-2-9-24-15-19/h1-4,8-9,14-15,20-21H,5-7,10-13,16-17H2/p+1/t21-/m0/s1