[5-(2-adamantylmethylcarbamoyl)-6-oxidanylidene-1H-pyridin-2-yl]methyl-[[(2S)-1,4-dioxan-2-yl]methyl]-methyl-azanium

Systemtic Name: [5-(2-adamantylmethylcarbamoyl)-6-oxidanylidene-1H-pyridin-2-yl]methyl-[[(2S)-1,4-dioxan-2-yl]methyl]-methyl-azanium Openeye Name: [5-(2-adamantylmethylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl-[[(2S)-1,4-dioxan-2-yl]methyl]-methyl-ammonium CAS Name: [5-[(2-adamantylmethylamino)-oxomethyl]-6-oxo-1H-pyridin-2-yl]methyl-[[(2S)-1,4-dioxan-2-yl]methyl]-methylammonium IUPAC Name: [5-(2-adamantylmethylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl-[[(2S)-1,4-dioxan-2-yl]methyl]-methylazanium Traditional Name: [5-(2-adamantylmethylcarbamoyl)-6-keto-1H-pyridin-2-yl]methyl-[[(2S)-1,4-dioxan-2-yl]methyl]-methyl-ammonium Formula: C24H36N3O4+ MolecularWeight: 430.56034

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1COCCO1)CC2=CC=C(C(=O)N2)C(=O)NCC3C4CC5CC(C4)CC3C5

Isomeric SMILES

C[NH+](C[C@H]1COCCO1)CC2=CC=C(C(=O)N2)C(=O)NCC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C24H35N3O4/c1-27(13-20-14-30-4-5-31-20)12-19-2-3-21(24(29)26-19)23(28)25-11-22-17-7-15-6-16(9-17)10-18(22)8-15/h2-3,15-18,20,22H,4-14H2,1H3,(H,25,28)(H,26,29)/p+1/t15?,16?,17?,18?,20-,22?/m0/s1