1,3-bis(3-methylisoquinolin-2-ium-2-yl)propan-2-ol bromide

Systemtic Name: 1,3-bis(3-methylisoquinolin-2-ium-2-yl)propan-2-ol bromide Openeye Name: 1,3-bis(3-methylisoquinolin-2-ium-2-yl)propan-2-ol bromide CAS Name: 1,3-bis(3-methyl-2-isoquinolin-2-iumyl)-2-propanol bromide IUPAC Name: 1,3-bis(3-methylisoquinolin-2-ium-2-yl)propan-2-ol bromide Traditional Name: 1,3-bis(3-methylisoquinolin-2-ium-2-yl)propan-2-ol bromide Formula: C23H24BrN2O+ MolecularWeight: 424.35346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2C=[N+]1CC(C[N+]3=CC4=CC=CC=C4C=C3C)O.[Br-]

Isomeric SMILES

CC1=CC2=CC=CC=C2C=[N+]1CC(C[N+]3=CC4=CC=CC=C4C=C3C)O.[Br-]

InChI

InChI=1S/C23H24N2O.BrH/c1-17-11-19-7-3-5-9-21(19)13-24(17)15-23(26)16-25-14-22-10-6-4-8-20(22)12-18(25)2;/h3-14,23,26H,15-16H2,1-2H3;1H/q+2;/p-1