3-[(3-azanylpyridin-1-ium-4-yl)-methyl-amino]propanenitrile

Systemtic Name: 3-[(3-azanylpyridin-1-ium-4-yl)-methyl-amino]propanenitrile Openeye Name: 3-[(3-aminopyridin-1-ium-4-yl)-methyl-amino]propanenitrile CAS Name: 3-[(3-amino-4-pyridin-1-iumyl)-methylamino]propanenitrile IUPAC Name: 3-[(3-aminopyridin-1-ium-4-yl)-methylamino]propanenitrile Traditional Name: 3-[(3-aminopyridin-1-ium-4-yl)-methyl-amino]propionitrile Formula: C9H13N4+ MolecularWeight: 177.22632

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C1=C(C=[NH+]C=C1)N

Isomeric SMILES

CN(CCC#N)C1=C(C=[NH+]C=C1)N

InChI

InChI=1S/C9H12N4/c1-13(6-2-4-10)9-3-5-12-7-8(9)11/h3,5,7H,2,6,11H2,1H3/p+1