(2S)-2-(3,4-dihydroisoquinolin-2-ium-2-yl)-3-methyl-butan-1-ol bromide

Systemtic Name: (2S)-2-(3,4-dihydroisoquinolin-2-ium-2-yl)-3-methyl-butan-1-ol bromide Openeye Name: (2S)-2-(3,4-dihydroisoquinolin-2-ium-2-yl)-3-methyl-butan-1-ol bromide CAS Name: (2S)-2-(3,4-dihydroisoquinolin-2-ium-2-yl)-3-methyl-1-butanol bromide IUPAC Name: (2S)-2-(3,4-dihydroisoquinolin-2-ium-2-yl)-3-methylbutan-1-ol bromide Traditional Name: (2S)-2-(3,4-dihydroisoquinolin-2-ium-2-yl)-3-methyl-butan-1-ol bromide Formula: C14H20BrNO MolecularWeight: 298.2187

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CO)[N+]1=CC2=CC=CC=C2CC1.[Br-]

Isomeric SMILES

CC(C)[C@@H](CO)[N+]1=CC2=CC=CC=C2CC1.[Br-]

InChI

InChI=1S/C14H20NO.BrH/c1-11(2)14(10-16)15-8-7-12-5-3-4-6-13(12)9-15;/h3-6,9,11,14,16H,7-8,10H2,1-2H3;1H/q+1;/p-1/t14-;/m1./s1