(2S)-3-cyclohexyl-2-(3,4-dihydroisoquinolin-2-ium-2-yl)propan-1-ol bromide

Systemtic Name: (2S)-3-cyclohexyl-2-(3,4-dihydroisoquinolin-2-ium-2-yl)propan-1-ol bromide Openeye Name: (2S)-3-cyclohexyl-2-(3,4-dihydroisoquinolin-2-ium-2-yl)propan-1-ol bromide CAS Name: (2S)-3-cyclohexyl-2-(3,4-dihydroisoquinolin-2-ium-2-yl)-1-propanol bromide IUPAC Name: (2S)-3-cyclohexyl-2-(3,4-dihydroisoquinolin-2-ium-2-yl)propan-1-ol bromide Traditional Name: (2S)-3-cyclohexyl-2-(3,4-dihydroisoquinolin-2-ium-2-yl)propan-1-ol bromide Formula: C18H26BrNO MolecularWeight: 352.30914

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(CO)[N+]2=CC3=CC=CC=C3CC2.[Br-]

Isomeric SMILES

C1CCC(CC1)C[C@@H](CO)[N+]2=CC3=CC=CC=C3CC2.[Br-]

InChI

InChI=1S/C18H26NO.BrH/c20-14-18(12-15-6-2-1-3-7-15)19-11-10-16-8-4-5-9-17(16)13-19;/h4-5,8-9,13,15,18,20H,1-3,6-7,10-12,14H2;1H/q+1;/p-1/t18-;/m0./s1