isoquinolin-2-ium-5-carbonitrile

Systemtic Name: isoquinolin-2-ium-5-carbonitrile Openeye Name: isoquinolin-2-ium-5-carbonitrile CAS Name: 5-isoquinolin-2-iumcarbonitrile IUPAC Name: isoquinolin-2-ium-5-carbonitrile Traditional Name: isoquinolin-2-ium-5-carbonitrile Formula: C10H7N2+ MolecularWeight: 155.17598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H6N2/c11-6-8-2-1-3-9-7-12-5-4-10(8)9/h1-5,7H/p+1