2-(bromomethyl)-1-[(2S)-1-methoxy-3-methyl-butan-2-yl]-4,4-dimethyl-2,3-dihydropyrrol-1-ium bromide

Systemtic Name: 2-(bromomethyl)-1-[(2S)-1-methoxy-3-methyl-butan-2-yl]-4,4-dimethyl-2,3-dihydropyrrol-1-ium bromide Openeye Name: 2-(bromomethyl)-1-[(1S)-1-(methoxymethyl)-2-methyl-propyl]-4,4-dimethyl-2,3-dihydropyrrol-1-ium bromide CAS Name: 2-(bromomethyl)-1-[(2S)-1-methoxy-3-methylbutan-2-yl]-4,4-dimethyl-2,3-dihydropyrrol-1-ium bromide IUPAC Name: 2-(bromomethyl)-1-[(2S)-1-methoxy-3-methylbutan-2-yl]-4,4-dimethyl-2,3-dihydropyrrol-1-ium bromide Traditional Name: 2-(bromomethyl)-1-[(1S)-1-(methoxymethyl)-2-methyl-propyl]-4,4-dimethyl-1-pyrrolin-1-ium bromide Formula: C13H25Br2NO MolecularWeight: 371.1517

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(COC)[N+]1=CC(CC1CBr)(C)C.[Br-]

Isomeric SMILES

CC(C)[C@@H](COC)[N+]1=CC(CC1CBr)(C)C.[Br-]

InChI

InChI=1S/C13H25BrNO.BrH/c1-10(2)12(8-16-5)15-9-13(3,4)6-11(15)7-14;/h9-12H,6-8H2,1-5H3;1H/q+1;/p-1/t11?,12-;/m1./s1