2-[[(3S,5R)-3,5-diphenyl-1-adamantyl]carbonyloxy]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(3S,5R)-3,5-diphenyl-1-adamantyl]carbonyloxy]ethyl-dimethyl-azanium Openeye Name: 2-[(3S,5R)-3,5-diphenyladamantane-1-carbonyl]oxyethyl-dimethyl-ammonium CAS Name: 2-[[(3S,5R)-3,5-diphenyl-1-adamantyl]-oxomethoxy]ethyl-dimethylammonium IUPAC Name: 2-[(3S,5R)-3,5-diphenyladamantane-1-carbonyl]oxyethyl-dimethylazanium Traditional Name: 2-[(3S,5R)-3,5-diphenyladamantane-1-carbonyl]oxyethyl-dimethyl-ammonium Formula: C27H34NO2+ MolecularWeight: 404.56436

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCOC(=O)C12CC3CC(C1)(CC(C3)(C2)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C[NH+](C)CCOC(=O)C12CC3C[C@](C1)(C[C@@](C3)(C2)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H33NO2/c1-28(2)13-14-30-24(29)27-17-21-15-25(19-27,22-9-5-3-6-10-22)18-26(16-21,20-27)23-11-7-4-8-12-23/h3-12,21H,13-20H2,1-2H3/p+1/t21?,25-,26+,27?