N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-3-ethynyl-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-3-ethynyl-N-(pyridin-3-ylmethyl)benzamide Openeye Name: N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-3-ethynyl-N-(3-pyridylmethyl)benzamide CAS Name: N-[[(3R)-1-cyclohexyl-3-piperidin-1-iumyl]methyl]-3-ethynyl-N-(3-pyridinylmethyl)benzamide IUPAC Name: N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-3-ethynyl-N-(pyridin-3-ylmethyl)benzamide Traditional Name: N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-3-ethynyl-N-(3-pyridylmethyl)benzamide Formula: C27H34N3O+ MolecularWeight: 416.57836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)C(=O)N(CC2CCC[NH+](C2)C3CCCCC3)CC4=CN=CC=C4

Isomeric SMILES

C#CC1=CC(=CC=C1)C(=O)N(C[C@H]2CCC[NH+](C2)C3CCCCC3)CC4=CN=CC=C4

InChI

InChI=1S/C27H33N3O/c1-2-22-9-6-12-25(17-22)27(31)30(19-23-10-7-15-28-18-23)21-24-11-8-16-29(20-24)26-13-4-3-5-14-26/h1,6-7,9-10,12,15,17-18,24,26H,3-5,8,11,13-14,16,19-21H2/p+1/t24-/m0/s1