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

Systemtic Name: 3-(1H-pyrazol-4-yl)-1-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]propan-1-one Openeye Name: 3-(1H-pyrazol-4-yl)-1-[(3R)-3-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]propan-1-one CAS Name: 3-(1H-pyrazol-4-yl)-1-[(3R)-3-[1-(3-pyridinylmethyl)-4-piperidin-1-iumyl]-1-pyrrolidinyl]-1-propanone IUPAC Name: 3-(1H-pyrazol-4-yl)-1-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]propan-1-one Traditional Name: 3-(1H-pyrazol-4-yl)-1-[(3R)-3-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrrolidino]propan-1-one Formula: C21H30N5O+ MolecularWeight: 368.4958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O/c27-21(4-3-17-13-23-24-14-17)26-11-7-20(16-26)19-5-9-25(10-6-19)15-18-2-1-8-22-12-18/h1-2,8,12-14,19-20H,3-7,9-11,15-16H2,(H,23,24)/p+1/t20-/m0/s1