[(1S)-2-[[2-(1-adamantylamino)-2-oxidanylidene-ethyl]azaniumyl]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[[2-(1-adamantylamino)-2-oxidanylidene-ethyl]azaniumyl]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[2-(1-adamantylamino)-2-oxo-ethyl]ammonio]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[2-(1-adamantylamino)-2-oxoethyl]ammonio]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[2-(1-adamantylamino)-2-oxoethyl]azaniumyl]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[2-(1-adamantylamino)-2-keto-ethyl]ammonio]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C22H35N3O+2 MolecularWeight: 357.5328

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(C[NH2+]CC(=O)NC12CC3CC(C1)CC(C3)C2)C4=CC=CC=C4

Isomeric SMILES

C[NH+](C)[C@H](C[NH2+]CC(=O)NC12CC3CC(C1)CC(C3)C2)C4=CC=CC=C4

InChI

InChI=1S/C22H33N3O/c1-25(2)20(19-6-4-3-5-7-19)14-23-15-21(26)24-22-11-16-8-17(12-22)10-18(9-16)13-22/h3-7,16-18,20,23H,8-15H2,1-2H3,(H,24,26)/p+2/t16?,17?,18?,20-,22?/m1/s1