2-[(4-methoxyphenyl)methyl]isoquinolin-2-ium bromide

Systemtic Name: 2-[(4-methoxyphenyl)methyl]isoquinolin-2-ium bromide Openeye Name: 2-[(4-methoxyphenyl)methyl]isoquinolin-2-ium bromide CAS Name: 2-[(4-methoxyphenyl)methyl]isoquinolin-2-ium bromide IUPAC Name: 2-[(4-methoxyphenyl)methyl]isoquinolin-2-ium bromide Traditional Name: 2-p-anisylisoquinolin-2-ium bromide Formula: C17H16BrNO MolecularWeight: 330.21904

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[N+]2=CC3=CC=CC=C3C=C2.[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)C[N+]2=CC3=CC=CC=C3C=C2.[Br-]

InChI

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