2-(4-ethanoyl-3,5-dimethyl-pyrazol-1-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]ethanamide

Systemtic Name: 2-(4-ethanoyl-3,5-dimethyl-pyrazol-1-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]ethanamide Openeye Name: 2-(4-acetyl-3,5-dimethyl-pyrazol-1-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]acetamide CAS Name: 2-(4-acetyl-3,5-dimethyl-1-pyrazolyl)-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]acetamide IUPAC Name: 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]acetamide Traditional Name: 2-(4-acetyl-3,5-dimethyl-pyrazol-1-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]acetamide Formula: C22H31N4O2+ MolecularWeight: 383.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2CCC[NH+](C2)CCC3=CC=CC=C3)C)C(=O)C

Isomeric SMILES

CC1=C(C(=NN1CC(=O)N[C@H]2CCC[NH+](C2)CCC3=CC=CC=C3)C)C(=O)C

InChI

InChI=1S/C22H30N4O2/c1-16-22(18(3)27)17(2)26(24-16)15-21(28)23-20-10-7-12-25(14-20)13-11-19-8-5-4-6-9-19/h4-6,8-9,20H,7,10-15H2,1-3H3,(H,23,28)/p+1/t20-/m0/s1