1-adamantyl-[(2R)-1-oxidanylidene-1-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)propan-2-yl]azanium

Systemtic Name: 1-adamantyl-[(2R)-1-oxidanylidene-1-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)propan-2-yl]azanium Openeye Name: 1-adamantyl-[(1R)-1-methyl-2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]ammonium CAS Name: 1-adamantyl-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]ammonium IUPAC Name: 1-adamantyl-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]azanium Traditional Name: 1-adamantyl-[(1R)-2-keto-2-(3-keto-2,4-dihydroquinoxalin-1-yl)-1-methyl-ethyl]ammonium Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC(=O)NC2=CC=CC=C21)[NH2+]C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@H](C(=O)N1CC(=O)NC2=CC=CC=C21)[NH2+]C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H27N3O2/c1-13(23-21-9-14-6-15(10-21)8-16(7-14)11-21)20(26)24-12-19(25)22-17-4-2-3-5-18(17)24/h2-5,13-16,23H,6-12H2,1H3,(H,22,25)/p+1/t13-,14?,15?,16?,21?/m1/s1