5-(5-bromanylisoquinolin-2-ium-2-yl)pentanal

Systemtic Name: 5-(5-bromanylisoquinolin-2-ium-2-yl)pentanal Openeye Name: 5-(5-bromoisoquinolin-2-ium-2-yl)pentanal CAS Name: 5-(5-bromo-2-isoquinolin-2-iumyl)pentanal IUPAC Name: 5-(5-bromoisoquinolin-2-ium-2-yl)pentanal Traditional Name: 5-(5-bromoisoquinolin-2-ium-2-yl)valeraldehyde Formula: C14H15BrNO+ MolecularWeight: 293.179

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C[N+](=C2)CCCCC=O)C(=C1)Br

Isomeric SMILES

C1=CC2=C(C=C[N+](=C2)CCCCC=O)C(=C1)Br

InChI

InChI=1S/C14H15BrNO/c15-14-6-4-5-12-11-16(9-7-13(12)14)8-2-1-3-10-17/h4-7,9-11H,1-3,8H2/q+1