6-methoxy-2-(phenylmethyl)isoquinolin-2-ium bromide

Systemtic Name: 6-methoxy-2-(phenylmethyl)isoquinolin-2-ium bromide Openeye Name: 2-benzyl-6-methoxy-isoquinolin-2-ium bromide CAS Name: 6-methoxy-2-(phenylmethyl)isoquinolin-2-ium bromide IUPAC Name: 2-benzyl-6-methoxyisoquinolin-2-ium bromide Traditional Name: 2-benzyl-6-methoxy-isoquinolin-2-ium bromide Formula: C17H16BrNO MolecularWeight: 330.21904

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=[N+](C=C2)CC3=CC=CC=C3.[Br-]

Isomeric SMILES

COC1=CC2=C(C=C1)C=[N+](C=C2)CC3=CC=CC=C3.[Br-]

InChI

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