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

Systemtic Name: 3-pyrazol-1-yl-1-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]propan-1-one Openeye Name: 3-pyrazol-1-yl-1-[(3R)-3-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]propan-1-one CAS Name: 3-(1-pyrazolyl)-1-[(3R)-3-[1-(3-pyridinylmethyl)-4-piperidin-1-iumyl]-1-pyrrolidinyl]-1-propanone IUPAC Name: 3-pyrazol-1-yl-1-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]propan-1-one Traditional Name: 3-pyrazol-1-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)CCN3C=CC=N3)CC4=CN=CC=C4

Isomeric SMILES

C1CN(C[C@H]1C2CC[NH+](CC2)CC3=CN=CC=C3)C(=O)CCN4C=CC=N4

InChI

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