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

Systemtic Name: [(3S)-2-methyl-2-prop-2-enyl-3,4-dihydro-1H-isoquinolin-2-ium-3-yl]methanol bromide Openeye Name: [(3S)-2-allyl-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-3-yl]methanol bromide CAS Name: [(3S)-2-methyl-2-prop-2-enyl-3,4-dihydro-1H-isoquinolin-2-ium-3-yl]methanol bromide IUPAC Name: [(3S)-2-methyl-2-prop-2-enyl-3,4-dihydro-1H-isoquinolin-2-ium-3-yl]methanol bromide Traditional Name: [(3S)-2-allyl-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-3-yl]methanol bromide Formula: C14H20BrNO MolecularWeight: 298.2187

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20NO.BrH/c1-3-8-15(2)10-13-7-5-4-6-12(13)9-14(15)11-16;/h3-7,14,16H,1,8-11H2,2H3;1H/q+1;/p-1/t14-,15?;/m0./s1