[5-(1-adamantylcarbamoyl)-6-oxidanylidene-1H-pyridin-2-yl]methyl-ethyl-(pyridin-4-ylmethyl)azanium

Systemtic Name: [5-(1-adamantylcarbamoyl)-6-oxidanylidene-1H-pyridin-2-yl]methyl-ethyl-(pyridin-4-ylmethyl)azanium Openeye Name: [5-(1-adamantylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl-ethyl-(4-pyridylmethyl)ammonium CAS Name: [5-[(1-adamantylamino)-oxomethyl]-6-oxo-1H-pyridin-2-yl]methyl-ethyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: [5-(1-adamantylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl-ethyl-(pyridin-4-ylmethyl)azanium Traditional Name: [5-(1-adamantylcarbamoyl)-6-keto-1H-pyridin-2-yl]methyl-ethyl-(4-pyridylmethyl)ammonium Formula: C25H33N4O2+ MolecularWeight: 421.55512

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=NC=C1)CC2=CC=C(C(=O)N2)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC[NH+](CC1=CC=NC=C1)CC2=CC=C(C(=O)N2)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H32N4O2/c1-2-29(15-17-5-7-26-8-6-17)16-21-3-4-22(23(30)27-21)24(31)28-25-12-18-9-19(13-25)11-20(10-18)14-25/h3-8,18-20H,2,9-16H2,1H3,(H,27,30)(H,28,31)/p+1