2-methyl-6-(3-methylbut-2-enoxy)isoquinolin-2-ium bromide hydrate

Systemtic Name: 2-methyl-6-(3-methylbut-2-enoxy)isoquinolin-2-ium bromide hydrate Openeye Name: 2-methyl-6-(3-methylbut-2-enoxy)isoquinolin-2-ium bromide hydrate CAS Name: 2-methyl-6-(3-methylbut-2-enoxy)isoquinolin-2-ium bromide hydrate IUPAC Name: 2-methyl-6-(3-methylbut-2-enoxy)isoquinolin-2-ium bromide hydrate Traditional Name: 2-methyl-6-(3-methylbut-2-enoxy)isoquinolin-2-ium bromide hydrate Formula: C15H20BrNO2 MolecularWeight: 326.2288

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCOC1=CC2=C(C=C1)C=[N+](C=C2)C)C.O.[Br-]

Isomeric SMILES

CC(=CCOC1=CC2=C(C=C1)C=[N+](C=C2)C)C.O.[Br-]

InChI

InChI=1S/C15H18NO.BrH.H2O/c1-12(2)7-9-17-15-5-4-14-11-16(3)8-6-13(14)10-15;;/h4-8,10-11H,9H2,1-3H3;1H;1H2/q+1;;/p-1