N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-N-(pyridin-3-ylmethyl)but-3-enamide

Systemtic Name: N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-N-(pyridin-3-ylmethyl)but-3-enamide Openeye Name: N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-N-(3-pyridylmethyl)but-3-enamide CAS Name: N-[[(3R)-1-cyclohexyl-3-piperidin-1-iumyl]methyl]-N-(3-pyridinylmethyl)-3-butenamide IUPAC Name: N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-N-(pyridin-3-ylmethyl)but-3-enamide Traditional Name: N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-N-(3-pyridylmethyl)but-3-enamide Formula: C22H34N3O+ MolecularWeight: 356.52486

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(=O)N(CC1CCC[NH+](C1)C2CCCCC2)CC3=CN=CC=C3

Isomeric SMILES

C=CCC(=O)N(C[C@H]1CCC[NH+](C1)C2CCCCC2)CC3=CN=CC=C3

InChI

InChI=1S/C22H33N3O/c1-2-8-22(26)25(16-19-9-6-13-23-15-19)18-20-10-7-14-24(17-20)21-11-4-3-5-12-21/h2,6,9,13,15,20-21H,1,3-5,7-8,10-12,14,16-18H2/p+1/t20-/m0/s1