4-(isoquinolin-2-ium-2-ylmethyl)benzenecarbonitrile

Systemtic Name: 4-(isoquinolin-2-ium-2-ylmethyl)benzenecarbonitrile Openeye Name: 4-(isoquinolin-2-ium-2-ylmethyl)benzonitrile CAS Name: 4-(2-isoquinolin-2-iumylmethyl)benzonitrile IUPAC Name: 4-(isoquinolin-2-ium-2-ylmethyl)benzonitrile Traditional Name: 4-(isoquinolin-2-ium-2-ylmethyl)benzonitrile Formula: C17H13N2+ MolecularWeight: 245.29852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H13N2/c18-11-14-5-7-15(8-6-14)12-19-10-9-16-3-1-2-4-17(16)13-19/h1-10,13H,12H2/q+1