N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-2-pyrazol-1-yl-N-(pyridin-3-ylmethyl)ethanamide

Systemtic Name: N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-2-pyrazol-1-yl-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-2-pyrazol-1-yl-N-(3-pyridylmethyl)acetamide CAS Name: N-[[(3R)-1-cyclohexyl-3-piperidin-1-iumyl]methyl]-2-(1-pyrazolyl)-N-(3-pyridinylmethyl)acetamide IUPAC Name: N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-2-pyrazol-1-yl-N-(pyridin-3-ylmethyl)acetamide Traditional Name: N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-2-pyrazol-1-yl-N-(3-pyridylmethyl)acetamide Formula: C23H34N5O+ MolecularWeight: 396.54896

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCCC(C2)CN(CC3=CN=CC=C3)C(=O)CN4C=CC=N4

Isomeric SMILES

C1CCC(CC1)[NH+]2CCC[C@@H](C2)CN(CC3=CN=CC=C3)C(=O)CN4C=CC=N4

InChI

InChI=1S/C23H33N5O/c29-23(19-28-14-6-12-25-28)27(16-20-7-4-11-24-15-20)18-21-8-5-13-26(17-21)22-9-2-1-3-10-22/h4,6-7,11-12,14-15,21-22H,1-3,5,8-10,13,16-19H2/p+1/t21-/m0/s1