2-methyl-6-prop-2-ynoxy-isoquinolin-2-ium bromide

Systemtic Name: 2-methyl-6-prop-2-ynoxy-isoquinolin-2-ium bromide Openeye Name: 2-methyl-6-prop-2-ynoxy-isoquinolin-2-ium bromide CAS Name: 2-methyl-6-prop-2-ynoxyisoquinolin-2-ium bromide IUPAC Name: 2-methyl-6-prop-2-ynoxyisoquinolin-2-ium bromide Traditional Name: 2-methyl-6-propargyloxy-isoquinolin-2-ium bromide Formula: C13H12BrNO MolecularWeight: 278.14448

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC2=C(C=C1)C=C(C=C2)OCC#C.[Br-]

Isomeric SMILES

C[N+]1=CC2=C(C=C1)C=C(C=C2)OCC#C.[Br-]

InChI

InChI=1S/C13H12NO.BrH/c1-3-8-15-13-5-4-12-10-14(2)7-6-11(12)9-13;/h1,4-7,9-10H,8H2,2H3;1H/q+1;/p-1