2-methyl-6-phenylmethoxy-isoquinolin-2-ium bromide

Systemtic Name: 2-methyl-6-phenylmethoxy-isoquinolin-2-ium bromide Openeye Name: 6-benzyloxy-2-methyl-isoquinolin-2-ium bromide CAS Name: 2-methyl-6-phenylmethoxyisoquinolin-2-ium bromide IUPAC Name: 2-methyl-6-phenylmethoxyisoquinolin-2-ium bromide Traditional Name: 6-benzoxy-2-methyl-isoquinolin-2-ium bromide Formula: C17H16BrNO MolecularWeight: 330.21904

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC2=C(C=C1)C=C(C=C2)OCC3=CC=CC=C3.[Br-]

Isomeric SMILES

C[N+]1=CC2=C(C=C1)C=C(C=C2)OCC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C17H16NO.BrH/c1-18-10-9-15-11-17(8-7-16(15)12-18)19-13-14-5-3-2-4-6-14;/h2-12H,13H2,1H3;1H/q+1;/p-1