2-(1,3-benzodioxol-5-ylmethyl)isoquinolin-2-ium-1-carbonitrile bromide

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)isoquinolin-2-ium-1-carbonitrile bromide Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)isoquinolin-2-ium-1-carbonitrile bromide CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-1-isoquinolin-2-iumcarbonitrile bromide IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)isoquinolin-2-ium-1-carbonitrile bromide Traditional Name: 2-piperonylisoquinolin-2-ium-1-carbonitrile bromide Formula: C18H13BrN2O2 MolecularWeight: 369.21202

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C[N+]3=C(C4=CC=CC=C4C=C3)C#N.[Br-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C[N+]3=C(C4=CC=CC=C4C=C3)C#N.[Br-]

InChI

InChI=1S/C18H13N2O2.BrH/c19-10-16-15-4-2-1-3-14(15)7-8-20(16)11-13-5-6-17-18(9-13)22-12-21-17;/h1-9H,11-12H2;1H/q+1;/p-1