2-pyrazol-1-yl-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]ethanamide

Systemtic Name: 2-pyrazol-1-yl-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]ethanamide Openeye Name: 2-pyrazol-1-yl-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]acetamide CAS Name: 2-(1-pyrazolyl)-N-[(3S)-1-(2-pyridinylmethyl)-3-piperidin-1-iumyl]acetamide IUPAC Name: 2-pyrazol-1-yl-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]acetamide Traditional Name: 2-pyrazol-1-yl-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]acetamide Formula: C16H22N5O+ MolecularWeight: 300.37878

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=N2)NC(=O)CN3C=CC=N3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=N2)NC(=O)CN3C=CC=N3

InChI

InChI=1S/C16H21N5O/c22-16(13-21-10-4-8-18-21)19-15-6-3-9-20(12-15)11-14-5-1-2-7-17-14/h1-2,4-5,7-8,10,15H,3,6,9,11-13H2,(H,19,22)/p+1/t15-/m0/s1