2-[(3-azanylpyridin-1-ium-4-yl)-(cyanomethyl)amino]ethanenitrile

Systemtic Name: 2-[(3-azanylpyridin-1-ium-4-yl)-(cyanomethyl)amino]ethanenitrile Openeye Name: 2-[(3-aminopyridin-1-ium-4-yl)-(cyanomethyl)amino]acetonitrile CAS Name: 2-[(3-amino-4-pyridin-1-iumyl)-(cyanomethyl)amino]acetonitrile IUPAC Name: 2-[(3-aminopyridin-1-ium-4-yl)-(cyanomethyl)amino]acetonitrile Traditional Name: 2-[(3-aminopyridin-1-ium-4-yl)-(cyanomethyl)amino]acetonitrile Formula: C9H10N5+ MolecularWeight: 188.2092

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[NH+]=CC(=C1N(CC#N)CC#N)N

Isomeric SMILES

C1=C[NH+]=CC(=C1N(CC#N)CC#N)N

InChI

InChI=1S/C9H9N5/c10-2-5-14(6-3-11)9-1-4-13-7-8(9)12/h1,4,7H,5-6,12H2/p+1