(1-ethylpyrazol-4-yl)-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]methanone

Systemtic Name: (1-ethylpyrazol-4-yl)-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]methanone Openeye Name: (1-ethylpyrazol-4-yl)-[(3R)-3-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]methanone CAS Name: (1-ethyl-4-pyrazolyl)-[(3R)-3-[1-(3-pyridinylmethyl)-4-piperidin-1-iumyl]-1-pyrrolidinyl]methanone IUPAC Name: (1-ethylpyrazol-4-yl)-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]methanone Traditional Name: (1-ethylpyrazol-4-yl)-[(3R)-3-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrrolidino]methanone Formula: C21H30N5O+ MolecularWeight: 368.4958

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C(=O)N2CCC(C2)C3CC[NH+](CC3)CC4=CN=CC=C4

Isomeric SMILES

CCN1C=C(C=N1)C(=O)N2CC[C@@H](C2)C3CC[NH+](CC3)CC4=CN=CC=C4

InChI

InChI=1S/C21H29N5O/c1-2-26-16-20(13-23-26)21(27)25-11-7-19(15-25)18-5-9-24(10-6-18)14-17-4-3-8-22-12-17/h3-4,8,12-13,16,18-19H,2,5-7,9-11,14-15H2,1H3/p+1/t19-/m0/s1