1-(1,3-dioxolan-2-yl)-2-(phenylmethyl)isoquinolin-2-ium bromide

Systemtic Name: 1-(1,3-dioxolan-2-yl)-2-(phenylmethyl)isoquinolin-2-ium bromide Openeye Name: 2-benzyl-1-(1,3-dioxolan-2-yl)isoquinolin-2-ium bromide CAS Name: 1-(1,3-dioxolan-2-yl)-2-(phenylmethyl)isoquinolin-2-ium bromide IUPAC Name: 2-benzyl-1-(1,3-dioxolan-2-yl)isoquinolin-2-ium bromide Traditional Name: 2-benzyl-1-(1,3-dioxolan-2-yl)isoquinolin-2-ium bromide Formula: C19H18BrNO2 MolecularWeight: 372.25572

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(O1)C2=[N+](C=CC3=CC=CC=C32)CC4=CC=CC=C4.[Br-]

Isomeric SMILES

C1COC(O1)C2=[N+](C=CC3=CC=CC=C32)CC4=CC=CC=C4.[Br-]

InChI

InChI=1S/C19H18NO2.BrH/c1-2-6-15(7-3-1)14-20-11-10-16-8-4-5-9-17(16)18(20)19-21-12-13-22-19;/h1-11,19H,12-14H2;1H/q+1;/p-1