[2-(1-adamantylamino)-2-oxidanylidene-ethyl]-bis(phenylmethyl)azanium chloride

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl]-bis(phenylmethyl)azanium chloride Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl]-dibenzyl-ammonium chloride CAS Name: [2-(1-adamantylamino)-2-oxoethyl]-bis(phenylmethyl)ammonium chloride IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl]-dibenzylazanium chloride Traditional Name: [2-(1-adamantylamino)-2-keto-ethyl]-dibenzyl-ammonium chloride Formula: C26H33ClN2O MolecularWeight: 425.00602

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)C[NH+](CC4=CC=CC=C4)CC5=CC=CC=C5.[Cl-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C[NH+](CC4=CC=CC=C4)CC5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C26H32N2O.ClH/c29-25(27-26-14-22-11-23(15-26)13-24(12-22)16-26)19-28(17-20-7-3-1-4-8-20)18-21-9-5-2-6-10-21;/h1-10,22-24H,11-19H2,(H,27,29);1H