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

Systemtic Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-2-pyrazol-1-yl-ethanamide Openeye Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-2-pyrazol-1-yl-acetamide CAS Name: N-[(3S)-1-(cyclohexylmethyl)-3-piperidin-1-iumyl]-2-(1-pyrazolyl)acetamide IUPAC Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-2-pyrazol-1-ylacetamide Traditional Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-2-pyrazol-1-yl-acetamide Formula: C17H29N4O+ MolecularWeight: 305.43836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C[NH+]2CCCC(C2)NC(=O)CN3C=CC=N3

Isomeric SMILES

C1CCC(CC1)C[NH+]2CCC[C@@H](C2)NC(=O)CN3C=CC=N3

InChI

InChI=1S/C17H28N4O/c22-17(14-21-11-5-9-18-21)19-16-8-4-10-20(13-16)12-15-6-2-1-3-7-15/h5,9,11,15-16H,1-4,6-8,10,12-14H2,(H,19,22)/p+1/t16-/m0/s1