1-[5-(4-phenylphenyl)pentyl]isoquinolin-2-ium bromide

Systemtic Name: 1-[5-(4-phenylphenyl)pentyl]isoquinolin-2-ium bromide Openeye Name: 1-[5-(4-phenylphenyl)pentyl]isoquinolin-2-ium bromide CAS Name: 1-[5-(4-phenylphenyl)pentyl]isoquinolin-2-ium bromide IUPAC Name: 1-[5-(4-phenylphenyl)pentyl]isoquinolin-2-ium bromide Traditional Name: 1-[5-(4-phenylphenyl)pentyl]isoquinolin-2-ium bromide Formula: C26H26BrN MolecularWeight: 432.39534

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)CCCCCC3=[NH+]C=CC4=CC=CC=C43.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)CCCCCC3=[NH+]C=CC4=CC=CC=C43.[Br-]

InChI

InChI=1S/C26H25N.BrH/c1(6-14-26-25-13-8-7-12-24(25)19-20-27-26)3-9-21-15-17-23(18-16-21)22-10-4-2-5-11-22;/h2,4-5,7-8,10-13,15-20H,1,3,6,9,14H2;1H