[2-[2-(1-adamantylamino)-2-oxidanylidene-ethoxy]-5-phenyl-phenyl]methyl-dimethyl-azanium

Systemtic Name: [2-[2-(1-adamantylamino)-2-oxidanylidene-ethoxy]-5-phenyl-phenyl]methyl-dimethyl-azanium Openeye Name: [2-[2-(1-adamantylamino)-2-oxo-ethoxy]-5-phenyl-phenyl]methyl-dimethyl-ammonium CAS Name: [2-[2-(1-adamantylamino)-2-oxoethoxy]-5-phenylphenyl]methyl-dimethylammonium IUPAC Name: [2-[2-(1-adamantylamino)-2-oxoethoxy]-5-phenylphenyl]methyl-dimethylazanium Traditional Name: [2-[2-(1-adamantylamino)-2-keto-ethoxy]-5-phenyl-benzyl]-dimethyl-ammonium Formula: C27H35N2O2+ MolecularWeight: 419.579

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=C(C=CC(=C1)C2=CC=CC=C2)OCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[NH+](C)CC1=C(C=CC(=C1)C2=CC=CC=C2)OCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H34N2O2/c1-29(2)17-24-13-23(22-6-4-3-5-7-22)8-9-25(24)31-18-26(30)28-27-14-19-10-20(15-27)12-21(11-19)16-27/h3-9,13,19-21H,10-12,14-18H2,1-2H3,(H,28,30)/p+1