2-methyl-1-(phenylmethyl)isoquinolin-2-ium bromide

Systemtic Name: 2-methyl-1-(phenylmethyl)isoquinolin-2-ium bromide Openeye Name: 1-benzyl-2-methyl-isoquinolin-2-ium bromide CAS Name: 2-methyl-1-(phenylmethyl)isoquinolin-2-ium bromide IUPAC Name: 1-benzyl-2-methylisoquinolin-2-ium bromide Traditional Name: 1-benzyl-2-methyl-isoquinolin-2-ium bromide Formula: C17H16BrN MolecularWeight: 314.21964

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=CC=CC=C2C=C1)CC3=CC=CC=C3.[Br-]

Isomeric SMILES

C[N+]1=C(C2=CC=CC=C2C=C1)CC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C17H16N.BrH/c1-18-12-11-15-9-5-6-10-16(15)17(18)13-14-7-3-2-4-8-14;/h2-12H,13H2,1H3;1H/q+1;/p-1