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

Systemtic Name: (2S,3S)-2-(3,4-dihydroisoquinolin-2-ium-2-yl)-3-methyl-pentan-1-ol bromide Openeye Name: (2S,3S)-2-(3,4-dihydroisoquinolin-2-ium-2-yl)-3-methyl-pentan-1-ol bromide CAS Name: (2S,3S)-2-(3,4-dihydroisoquinolin-2-ium-2-yl)-3-methyl-1-pentanol bromide IUPAC Name: (2S,3S)-2-(3,4-dihydroisoquinolin-2-ium-2-yl)-3-methylpentan-1-ol bromide Traditional Name: (2S,3S)-2-(3,4-dihydroisoquinolin-2-ium-2-yl)-3-methyl-pentan-1-ol bromide Formula: C15H22BrNO MolecularWeight: 312.24528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22NO.BrH/c1-3-12(2)15(11-17)16-9-8-13-6-4-5-7-14(13)10-16;/h4-7,10,12,15,17H,3,8-9,11H2,1-2H3;1H/q+1;/p-1/t12-,15+;/m0./s1