[5-(2-adamantylmethylcarbamoyl)-6-oxidanylidene-1H-pyridin-2-yl]methyl-ethyl-(phenylmethyl)azanium

Systemtic Name: [5-(2-adamantylmethylcarbamoyl)-6-oxidanylidene-1H-pyridin-2-yl]methyl-ethyl-(phenylmethyl)azanium Openeye Name: [5-(2-adamantylmethylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl-benzyl-ethyl-ammonium CAS Name: [5-[(2-adamantylmethylamino)-oxomethyl]-6-oxo-1H-pyridin-2-yl]methyl-ethyl-(phenylmethyl)ammonium IUPAC Name: [5-(2-adamantylmethylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl-benzyl-ethylazanium Traditional Name: [5-(2-adamantylmethylcarbamoyl)-6-keto-1H-pyridin-2-yl]methyl-benzyl-ethyl-ammonium Formula: C27H36N3O2+ MolecularWeight: 434.59364

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CC2=CC=C(C(=O)N2)C(=O)NCC3C4CC5CC(C4)CC3C5

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CC2=CC=C(C(=O)N2)C(=O)NCC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C27H35N3O2/c1-2-30(16-18-6-4-3-5-7-18)17-23-8-9-24(27(32)29-23)26(31)28-15-25-21-11-19-10-20(13-21)14-22(25)12-19/h3-9,19-22,25H,2,10-17H2,1H3,(H,28,31)(H,29,32)/p+1