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

Systemtic Name: 2-[[(3S,5R)-3,5-diphenyl-1-adamantyl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[(3S,5R)-3,5-diphenyladamantane-1-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[(3S,5R)-3,5-diphenyl-1-adamantyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(3S,5R)-3,5-diphenyladamantane-1-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(3S,5R)-3,5-diphenyladamantane-1-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C27H35N2O+ MolecularWeight: 403.5796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N2O/c1-29(2)14-13-28-24(30)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,(H,28,30)/p+1/t21?,25-,26+,27?