3-pyridin-4-yl-1-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]propan-1-one

Systemtic Name: 3-pyridin-4-yl-1-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]propan-1-one Openeye Name: 3-(4-pyridyl)-1-[(3R)-3-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]propan-1-one CAS Name: 3-pyridin-4-yl-1-[(3R)-3-[1-(3-pyridinylmethyl)-4-piperidin-1-iumyl]-1-pyrrolidinyl]-1-propanone IUPAC Name: 3-pyridin-4-yl-1-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]propan-1-one Traditional Name: 3-(4-pyridyl)-1-[(3R)-3-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrrolidino]propan-1-one Formula: C23H31N4O+ MolecularWeight: 379.51844

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2CCN(C2)C(=O)CCC3=CC=NC=C3)CC4=CN=CC=C4

Isomeric SMILES

C1CN(C[C@H]1C2CC[NH+](CC2)CC3=CN=CC=C3)C(=O)CCC4=CC=NC=C4

InChI

InChI=1S/C23H30N4O/c28-23(4-3-19-5-11-24-12-6-19)27-15-9-22(18-27)21-7-13-26(14-8-21)17-20-2-1-10-25-16-20/h1-2,5-6,10-12,16,21-22H,3-4,7-9,13-15,17-18H2/p+1/t22-/m0/s1