2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]ethanamide

Systemtic Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]ethanamide Openeye Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]acetamide CAS Name: 2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-N-[(3S)-1-(2-pyridinylmethyl)-3-piperidin-1-iumyl]acetamide IUPAC Name: 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]acetamide Traditional Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]acetamide Formula: C24H30N5O+ MolecularWeight: 404.5279

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)NC3CCC[NH+](C3)CC4=CC=CC=N4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)N[C@H]3CCC[NH+](C3)CC4=CC=CC=N4

InChI

InChI=1S/C24H29N5O/c1-18-23(19(2)29(27-18)22-11-4-3-5-12-22)15-24(30)26-21-10-8-14-28(17-21)16-20-9-6-7-13-25-20/h3-7,9,11-13,21H,8,10,14-17H2,1-2H3,(H,26,30)/p+1/t21-/m0/s1