N-(1-adamantyl)-N-[(3-methoxyphenyl)methyl]-2-(4-oxidanylpiperidin-1-ium-1-yl)ethanamide

Systemtic Name: N-(1-adamantyl)-N-[(3-methoxyphenyl)methyl]-2-(4-oxidanylpiperidin-1-ium-1-yl)ethanamide Openeye Name: N-(1-adamantyl)-2-(4-hydroxypiperidin-1-ium-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide CAS Name: N-(1-adamantyl)-2-(4-hydroxy-1-piperidin-1-iumyl)-N-[(3-methoxyphenyl)methyl]acetamide IUPAC Name: N-(1-adamantyl)-2-(4-hydroxypiperidin-1-ium-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide Traditional Name: N-(1-adamantyl)-2-(4-hydroxypiperidin-1-ium-1-yl)-N-m-anisyl-acetamide Formula: C25H37N2O3+ MolecularWeight: 413.57288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN(C(=O)C[NH+]2CCC(CC2)O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=CC(=C1)CN(C(=O)C[NH+]2CCC(CC2)O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H36N2O3/c1-30-23-4-2-3-18(12-23)16-27(24(29)17-26-7-5-22(28)6-8-26)25-13-19-9-20(14-25)11-21(10-19)15-25/h2-4,12,19-22,28H,5-11,13-17H2,1H3/p+1