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

Systemtic Name: N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-2-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-2-(3-methoxyphenyl)-N-(3-pyridylmethyl)acetamide CAS Name: N-[[(3R)-1-cyclohexyl-3-piperidin-1-iumyl]methyl]-2-(3-methoxyphenyl)-N-(3-pyridinylmethyl)acetamide IUPAC Name: N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-2-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)acetamide Traditional Name: N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-2-(3-methoxyphenyl)-N-(3-pyridylmethyl)acetamide Formula: C27H38N3O2+ MolecularWeight: 436.60952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC(=O)N(CC2CCC[NH+](C2)C3CCCCC3)CC4=CN=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)CC(=O)N(C[C@H]2CCC[NH+](C2)C3CCCCC3)CC4=CN=CC=C4

InChI

InChI=1S/C27H37N3O2/c1-32-26-13-5-8-22(16-26)17-27(31)30(19-23-9-6-14-28-18-23)21-24-10-7-15-29(20-24)25-11-3-2-4-12-25/h5-6,8-9,13-14,16,18,24-25H,2-4,7,10-12,15,17,19-21H2,1H3/p+1/t24-/m0/s1