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

Systemtic Name: [5-(2-adamantylmethylcarbamoyl)-6-oxidanylidene-1H-pyridin-2-yl]methyl-(cyclopropylmethyl)-propyl-azanium Openeye Name: [5-(2-adamantylmethylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl-(cyclopropylmethyl)-propyl-ammonium CAS Name: [5-[(2-adamantylmethylamino)-oxomethyl]-6-oxo-1H-pyridin-2-yl]methyl-(cyclopropylmethyl)-propylammonium IUPAC Name: [5-(2-adamantylmethylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl-(cyclopropylmethyl)-propylazanium Traditional Name: [5-(2-adamantylmethylcarbamoyl)-6-keto-1H-pyridin-2-yl]methyl-(cyclopropylmethyl)-propyl-ammonium Formula: C25H38N3O2+ MolecularWeight: 412.58812

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CC1CC1)CC2=CC=C(C(=O)N2)C(=O)NCC3C4CC5CC(C4)CC3C5

Isomeric SMILES

CCC[NH+](CC1CC1)CC2=CC=C(C(=O)N2)C(=O)NCC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C25H37N3O2/c1-2-7-28(14-16-3-4-16)15-21-5-6-22(25(30)27-21)24(29)26-13-23-19-9-17-8-18(11-19)12-20(23)10-17/h5-6,16-20,23H,2-4,7-15H2,1H3,(H,26,29)(H,27,30)/p+1