N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-5-phenyl-N-(pyridin-3-ylmethyl)pentanamide

Systemtic Name: N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-5-phenyl-N-(pyridin-3-ylmethyl)pentanamide Openeye Name: N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-5-phenyl-N-(3-pyridylmethyl)pentanamide CAS Name: N-[[(3R)-1-cyclohexyl-3-piperidin-1-iumyl]methyl]-5-phenyl-N-(3-pyridinylmethyl)pentanamide IUPAC Name: N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-5-phenyl-N-(pyridin-3-ylmethyl)pentanamide Traditional Name: N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-5-phenyl-N-(3-pyridylmethyl)valeramide Formula: C29H42N3O+ MolecularWeight: 448.66328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCCC(C2)CN(CC3=CN=CC=C3)C(=O)CCCCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)[NH+]2CCC[C@@H](C2)CN(CC3=CN=CC=C3)C(=O)CCCCC4=CC=CC=C4

InChI

InChI=1S/C29H41N3O/c33-29(18-8-7-13-25-11-3-1-4-12-25)32(22-26-14-9-19-30-21-26)24-27-15-10-20-31(23-27)28-16-5-2-6-17-28/h1,3-4,9,11-12,14,19,21,27-28H,2,5-8,10,13,15-18,20,22-24H2/p+1/t27-/m0/s1