4-bromanyl-2-(phenylmethyl)isoquinolin-2-ium bromide

Systemtic Name: 4-bromanyl-2-(phenylmethyl)isoquinolin-2-ium bromide Openeye Name: 2-benzyl-4-bromo-isoquinolin-2-ium bromide CAS Name: 4-bromo-2-(phenylmethyl)isoquinolin-2-ium bromide IUPAC Name: 2-benzyl-4-bromoisoquinolin-2-ium bromide Traditional Name: 2-benzyl-4-bromo-isoquinolin-2-ium bromide Formula: C16H13Br2N MolecularWeight: 379.08912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrN.BrH/c17-16-12-18(10-13-6-2-1-3-7-13)11-14-8-4-5-9-15(14)16;/h1-9,11-12H,10H2;1H/q+1;/p-1