2-[(3-bromophenyl)methyl]isoquinolin-2-ium chloride

Systemtic Name: 2-[(3-bromophenyl)methyl]isoquinolin-2-ium chloride Openeye Name: 2-[(3-bromophenyl)methyl]isoquinolin-2-ium chloride CAS Name: 2-[(3-bromophenyl)methyl]isoquinolin-2-ium chloride IUPAC Name: 2-[(3-bromophenyl)methyl]isoquinolin-2-ium chloride Traditional Name: 2-(3-bromobenzyl)isoquinolin-2-ium chloride Formula: C16H13BrClN MolecularWeight: 334.63812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CC3=CC(=CC=C3)Br.[Cl-]

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)CC3=CC(=CC=C3)Br.[Cl-]

InChI

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