N-(2-adamantylmethyl)-6-[[(3S)-3-(diethylcarbamoyl)piperidin-1-ium-1-yl]methyl]-2-oxidanylidene-1H-pyridine-3-carboxamide

Systemtic Name: N-(2-adamantylmethyl)-6-[[(3S)-3-(diethylcarbamoyl)piperidin-1-ium-1-yl]methyl]-2-oxidanylidene-1H-pyridine-3-carboxamide Openeye Name: N-(2-adamantylmethyl)-6-[[(3S)-3-(diethylcarbamoyl)piperidin-1-ium-1-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide CAS Name: N-(2-adamantylmethyl)-6-[[(3S)-3-[diethylamino(oxo)methyl]-1-piperidin-1-iumyl]methyl]-2-oxo-1H-pyridine-3-carboxamide IUPAC Name: N-(2-adamantylmethyl)-6-[[(3S)-3-(diethylcarbamoyl)piperidin-1-ium-1-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide Traditional Name: N-(2-adamantylmethyl)-6-[[(3S)-3-(diethylcarbamoyl)piperidin-1-ium-1-yl]methyl]-2-keto-1H-pyridine-3-carboxamide Formula: C28H43N4O3+ MolecularWeight: 483.66602

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCC[NH+](C1)CC2=CC=C(C(=O)N2)C(=O)NCC3C4CC5CC(C4)CC3C5

Isomeric SMILES

CCN(CC)C(=O)[C@H]1CCC[NH+](C1)CC2=CC=C(C(=O)N2)C(=O)NCC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C28H42N4O3/c1-3-32(4-2)28(35)20-6-5-9-31(16-20)17-23-7-8-24(27(34)30-23)26(33)29-15-25-21-11-18-10-19(13-21)14-22(25)12-18/h7-8,18-22,25H,3-6,9-17H2,1-2H3,(H,29,33)(H,30,34)/p+1/t18?,19?,20-,21?,22?,25?/m0/s1