[5-(2-adamantylmethylcarbamoyl)-6-oxidanylidene-1H-pyridin-2-yl]methyl-(3-methoxypropyl)-(1-methylpiperidin-1-ium-4-yl)azanium

Systemtic Name: [5-(2-adamantylmethylcarbamoyl)-6-oxidanylidene-1H-pyridin-2-yl]methyl-(3-methoxypropyl)-(1-methylpiperidin-1-ium-4-yl)azanium Openeye Name: [5-(2-adamantylmethylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl-(3-methoxypropyl)-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: [5-[(2-adamantylmethylamino)-oxomethyl]-6-oxo-1H-pyridin-2-yl]methyl-(3-methoxypropyl)-(1-methyl-4-piperidin-1-iumyl)ammonium IUPAC Name: [5-(2-adamantylmethylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl-(3-methoxypropyl)-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: [5-(2-adamantylmethylcarbamoyl)-6-keto-1H-pyridin-2-yl]methyl-(3-methoxypropyl)-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C28H46N4O3+2 MolecularWeight: 486.68984

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+](CCCOC)CC2=CC=C(C(=O)N2)C(=O)NCC3C4CC5CC(C4)CC3C5

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+](CCCOC)CC2=CC=C(C(=O)N2)C(=O)NCC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C28H44N4O3/c1-31-9-6-24(7-10-31)32(8-3-11-35-2)18-23-4-5-25(28(34)30-23)27(33)29-17-26-21-13-19-12-20(15-21)16-22(26)14-19/h4-5,19-22,24,26H,3,6-18H2,1-2H3,(H,29,33)(H,30,34)/p+2