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

Systemtic Name: [5-(1-adamantylcarbamoyl)-6-oxidanylidene-1H-pyridin-2-yl]methyl-ethyl-(2-hydroxyethyl)azanium Openeye Name: [5-(1-adamantylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl-ethyl-(2-hydroxyethyl)ammonium CAS Name: [5-[(1-adamantylamino)-oxomethyl]-6-oxo-1H-pyridin-2-yl]methyl-ethyl-(2-hydroxyethyl)ammonium IUPAC Name: [5-(1-adamantylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl-ethyl-(2-hydroxyethyl)azanium Traditional Name: [5-(1-adamantylcarbamoyl)-6-keto-1H-pyridin-2-yl]methyl-ethyl-(2-hydroxyethyl)ammonium Formula: C21H32N3O3+ MolecularWeight: 374.49708

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCO)CC1=CC=C(C(=O)N1)C(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC[NH+](CCO)CC1=CC=C(C(=O)N1)C(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H31N3O3/c1-2-24(5-6-25)13-17-3-4-18(19(26)22-17)20(27)23-21-10-14-7-15(11-21)9-16(8-14)12-21/h3-4,14-16,25H,2,5-13H2,1H3,(H,22,26)(H,23,27)/p+1