5-chloranyl-2-(phenylmethyl)isoquinolin-2-ium bromide

Systemtic Name: 5-chloranyl-2-(phenylmethyl)isoquinolin-2-ium bromide Openeye Name: 2-benzyl-5-chloro-isoquinolin-2-ium bromide CAS Name: 5-chloro-2-(phenylmethyl)isoquinolin-2-ium bromide IUPAC Name: 2-benzyl-5-chloroisoquinolin-2-ium bromide Traditional Name: 2-benzyl-5-chloro-isoquinolin-2-ium bromide Formula: C16H13BrClN MolecularWeight: 334.63812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CC3=C(C=C2)C(=CC=C3)Cl.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CC3=C(C=C2)C(=CC=C3)Cl.[Br-]

InChI

InChI=1S/C16H13ClN.BrH/c17-16-8-4-7-14-12-18(10-9-15(14)16)11-13-5-2-1-3-6-13;/h1-10,12H,11H2;1H/q+1;/p-1