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

Systemtic Name: [5-(2-adamantylmethylcarbamoyl)-6-oxidanylidene-1H-pyridin-2-yl]methyl-diethyl-azanium Openeye Name: [5-(2-adamantylmethylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl-diethyl-ammonium CAS Name: [5-[(2-adamantylmethylamino)-oxomethyl]-6-oxo-1H-pyridin-2-yl]methyl-diethylammonium IUPAC Name: [5-(2-adamantylmethylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl-diethylazanium Traditional Name: [5-(2-adamantylmethylcarbamoyl)-6-keto-1H-pyridin-2-yl]methyl-diethyl-ammonium Formula: C22H34N3O2+ MolecularWeight: 372.52426

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C(=O)N1)C(=O)NCC2C3CC4CC(C3)CC2C4

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C(=O)N1)C(=O)NCC2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C22H33N3O2/c1-3-25(4-2)13-18-5-6-19(22(27)24-18)21(26)23-12-20-16-8-14-7-15(10-16)11-17(20)9-14/h5-6,14-17,20H,3-4,7-13H2,1-2H3,(H,23,26)(H,24,27)/p+1