[5-(hydroxymethyl)-2-methyl-2-phenyl-1,3-dioxan-5-yl]methyl-trimethyl-azanium bromide

Systemtic Name: [5-(hydroxymethyl)-2-methyl-2-phenyl-1,3-dioxan-5-yl]methyl-trimethyl-azanium bromide Openeye Name: [5-(hydroxymethyl)-2-methyl-2-phenyl-1,3-dioxan-5-yl]methyl-trimethyl-ammonium bromide CAS Name: [5-(hydroxymethyl)-2-methyl-2-phenyl-1,3-dioxan-5-yl]methyl-trimethylammonium bromide IUPAC Name: [5-(hydroxymethyl)-2-methyl-2-phenyl-1,3-dioxan-5-yl]methyl-trimethylazanium bromide Traditional Name: trimethyl-[(2-methyl-5-methylol-2-phenyl-1,3-dioxan-5-yl)methyl]ammonium bromide Formula: C16H26BrNO3 MolecularWeight: 360.28654

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(CO1)(C[N+](C)(C)C)CO)C2=CC=CC=C2.[Br-]

Isomeric SMILES

CC1(OCC(CO1)(C[N+](C)(C)C)CO)C2=CC=CC=C2.[Br-]

InChI

InChI=1S/C16H26NO3.BrH/c1-15(14-8-6-5-7-9-14)19-12-16(11-18,13-20-15)10-17(2,3)4;/h5-9,18H,10-13H2,1-4H3;1H/q+1;/p-1