[(2R)-1-(1-adamantyl)-1-oxidanylidene-propan-2-yl]-(phenylmethyl)azanium

Systemtic Name: [(2R)-1-(1-adamantyl)-1-oxidanylidene-propan-2-yl]-(phenylmethyl)azanium Openeye Name: [(1R)-2-(1-adamantyl)-1-methyl-2-oxo-ethyl]-benzyl-ammonium CAS Name: [(2R)-1-(1-adamantyl)-1-oxopropan-2-yl]-(phenylmethyl)ammonium IUPAC Name: [(2R)-1-(1-adamantyl)-1-oxopropan-2-yl]-benzylazanium Traditional Name: [(1R)-2-(1-adamantyl)-2-keto-1-methyl-ethyl]-benzyl-ammonium Formula: C20H28NO+ MolecularWeight: 298.44242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)[NH2+]CC4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)C12CC3CC(C1)CC(C3)C2)[NH2+]CC4=CC=CC=C4

InChI

InChI=1S/C20H27NO/c1-14(21-13-15-5-3-2-4-6-15)19(22)20-10-16-7-17(11-20)9-18(8-16)12-20/h2-6,14,16-18,21H,7-13H2,1H3/p+1/t14-,16?,17?,18?,20?/m1/s1