3-(1-adamantylcarbonylamino)propyl-(2-decoxy-2-oxidanylidene-ethyl)-dimethyl-azanium chloride

Systemtic Name: 3-(1-adamantylcarbonylamino)propyl-(2-decoxy-2-oxidanylidene-ethyl)-dimethyl-azanium chloride Openeye Name: 3-(adamantane-1-carbonylamino)propyl-(2-decoxy-2-oxo-ethyl)-dimethyl-ammonium chloride CAS Name: 3-[[1-adamantyl(oxo)methyl]amino]propyl-(2-decoxy-2-oxoethyl)-dimethylammonium chloride IUPAC Name: 3-(adamantane-1-carbonylamino)propyl-(2-decoxy-2-oxoethyl)-dimethylazanium chloride Traditional Name: 3-(adamantane-1-carbonylamino)propyl-(2-decoxy-2-keto-ethyl)-dimethyl-ammonium chloride Formula: C28H51ClN2O3 MolecularWeight: 499.16914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)C[N+](C)(C)CCCNC(=O)C12CC3CC(C1)CC(C3)C2.[Cl-]

Isomeric SMILES

CCCCCCCCCCOC(=O)C[N+](C)(C)CCCNC(=O)C12CC3CC(C1)CC(C3)C2.[Cl-]

InChI

InChI=1S/C28H50N2O3.ClH/c1-4-5-6-7-8-9-10-11-15-33-26(31)22-30(2,3)14-12-13-29-27(32)28-19-23-16-24(20-28)18-25(17-23)21-28;/h23-25H,4-22H2,1-3H3;1H