[2-(1-adamantyl)-2-oxidanylidene-ethyl]-bis(2-phenoxyethyl)azanium

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl]-bis(2-phenoxyethyl)azanium Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl]-bis(2-phenoxyethyl)ammonium CAS Name: [2-(1-adamantyl)-2-oxoethyl]-bis(2-phenoxyethyl)ammonium IUPAC Name: [2-(1-adamantyl)-2-oxoethyl]-bis(2-phenoxyethyl)azanium Traditional Name: [2-(1-adamantyl)-2-keto-ethyl]-bis(2-phenoxyethyl)ammonium Formula: C28H36NO3+ MolecularWeight: 434.59034

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)C[NH+](CCOC4=CC=CC=C4)CCOC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)C[NH+](CCOC4=CC=CC=C4)CCOC5=CC=CC=C5

InChI

InChI=1S/C28H35NO3/c30-27(28-18-22-15-23(19-28)17-24(16-22)20-28)21-29(11-13-31-25-7-3-1-4-8-25)12-14-32-26-9-5-2-6-10-26/h1-10,22-24H,11-21H2/p+1