[(3S)-2-methyl-2-(3-methylbut-2-enyl)-3,4-dihydro-1H-isoquinolin-2-ium-3-yl]methanol bromide

Systemtic Name: [(3S)-2-methyl-2-(3-methylbut-2-enyl)-3,4-dihydro-1H-isoquinolin-2-ium-3-yl]methanol bromide Openeye Name: [(3S)-2-methyl-2-(3-methylbut-2-enyl)-3,4-dihydro-1H-isoquinolin-2-ium-3-yl]methanol bromide CAS Name: [(3S)-2-methyl-2-(3-methylbut-2-enyl)-3,4-dihydro-1H-isoquinolin-2-ium-3-yl]methanol bromide IUPAC Name: [(3S)-2-methyl-2-(3-methylbut-2-enyl)-3,4-dihydro-1H-isoquinolin-2-ium-3-yl]methanol bromide Traditional Name: [(3S)-2-methyl-2-(3-methylbut-2-enyl)-3,4-dihydro-1H-isoquinolin-2-ium-3-yl]methanol bromide Formula: C16H24BrNO MolecularWeight: 326.27186

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC[N+]1(CC2=CC=CC=C2CC1CO)C)C.[Br-]

Isomeric SMILES

CC(=CC[N+]1(CC2=CC=CC=C2C[C@H]1CO)C)C.[Br-]

InChI

InChI=1S/C16H24NO.BrH/c1-13(2)8-9-17(3)11-15-7-5-4-6-14(15)10-16(17)12-18;/h4-8,16,18H,9-12H2,1-3H3;1H/q+1;/p-1/t16-,17?;/m0./s1