2-prop-2-ynylisoquinolin-2-ium bromide

Systemtic Name: 2-prop-2-ynylisoquinolin-2-ium bromide Openeye Name: 2-prop-2-ynylisoquinolin-2-ium bromide CAS Name: 2-prop-2-ynylisoquinolin-2-ium bromide IUPAC Name: 2-prop-2-ynylisoquinolin-2-ium bromide Traditional Name: 2-propargylisoquinolin-2-ium bromide Formula: C12H10BrN MolecularWeight: 248.1185

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Descriptors Computed from Structure

Canonical SMILES:

C#CC[N+]1=CC2=CC=CC=C2C=C1.[Br-]

Isomeric SMILES

C#CC[N+]1=CC2=CC=CC=C2C=C1.[Br-]

InChI

InChI=1S/C12H10N.BrH/c1-2-8-13-9-7-11-5-3-4-6-12(11)10-13;/h1,3-7,9-10H,8H2;1H/q+1;/p-1