(2-decoxy-2-oxidanylidene-ethyl)-dimethyl-(3-oxidanyl-3-phenyl-propyl)azanium bromide

Systemtic Name: (2-decoxy-2-oxidanylidene-ethyl)-dimethyl-(3-oxidanyl-3-phenyl-propyl)azanium bromide Openeye Name: (2-decoxy-2-oxo-ethyl)-(3-hydroxy-3-phenyl-propyl)-dimethyl-ammonium bromide CAS Name: (2-decoxy-2-oxoethyl)-(3-hydroxy-3-phenylpropyl)-dimethylammonium bromide IUPAC Name: (2-decoxy-2-oxoethyl)-(3-hydroxy-3-phenylpropyl)-dimethylazanium bromide Traditional Name: (2-decoxy-2-keto-ethyl)-(3-hydroxy-3-phenyl-propyl)-dimethyl-ammonium bromide Formula: C23H40BrNO3 MolecularWeight: 458.4726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)C[N+](C)(C)CCC(C1=CC=CC=C1)O.[Br-]

Isomeric SMILES

CCCCCCCCCCOC(=O)C[N+](C)(C)CCC(C1=CC=CC=C1)O.[Br-]

InChI

InChI=1S/C23H40NO3.BrH/c1-4-5-6-7-8-9-10-14-19-27-23(26)20-24(2,3)18-17-22(25)21-15-12-11-13-16-21;/h11-13,15-16,22,25H,4-10,14,17-20H2,1-3H3;1H/q+1;/p-1