N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide CAS Name: N-(5-cyclopropyl-2-phenyl-3-pyrazolyl)-2-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(5-cyclopropyl-2-phenylpyrazol-3-yl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide Traditional Name: N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide Formula: C21H29N4O+ MolecularWeight: 353.48116

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC(=O)NC2=CC(=NN2C3=CC=CC=C3)C4CC4)C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)CC(=O)NC2=CC(=NN2C3=CC=CC=C3)C4CC4)C

InChI

InChI=1S/C21H28N4O/c1-15-10-16(2)13-24(12-15)14-21(26)22-20-11-19(17-8-9-17)23-25(20)18-6-4-3-5-7-18/h3-7,11,15-17H,8-10,12-14H2,1-2H3,(H,22,26)/p+1/t15-,16-/m0/s1