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

Systemtic Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-2-(4-ethanoyl-3,5-dimethyl-pyrazol-1-yl)ethanamide Openeye Name: 2-(4-acetyl-3,5-dimethyl-pyrazol-1-yl)-N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]acetamide CAS Name: 2-(4-acetyl-3,5-dimethyl-1-pyrazolyl)-N-[(3S)-1-(cyclohexylmethyl)-3-piperidin-1-iumyl]acetamide IUPAC Name: 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]acetamide Traditional Name: 2-(4-acetyl-3,5-dimethyl-pyrazol-1-yl)-N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]acetamide Formula: C21H35N4O2+ MolecularWeight: 375.5282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2CCC[NH+](C2)CC3CCCCC3)C)C(=O)C

Isomeric SMILES

CC1=C(C(=NN1CC(=O)N[C@H]2CCC[NH+](C2)CC3CCCCC3)C)C(=O)C

InChI

InChI=1S/C21H34N4O2/c1-15-21(17(3)26)16(2)25(23-15)14-20(27)22-19-10-7-11-24(13-19)12-18-8-5-4-6-9-18/h18-19H,4-14H2,1-3H3,(H,22,27)/p+1/t19-/m0/s1