3-[(6-azanylpyridin-1-ium-3-yl)-(pyridin-3-ylmethyl)amino]propanenitrile

Systemtic Name: 3-[(6-azanylpyridin-1-ium-3-yl)-(pyridin-3-ylmethyl)amino]propanenitrile Openeye Name: 3-[(6-aminopyridin-1-ium-3-yl)-(3-pyridylmethyl)amino]propanenitrile CAS Name: 3-[(6-amino-3-pyridin-1-iumyl)-(3-pyridinylmethyl)amino]propanenitrile IUPAC Name: 3-[(6-aminopyridin-1-ium-3-yl)-(pyridin-3-ylmethyl)amino]propanenitrile Traditional Name: 3-[(6-aminopyridin-1-ium-3-yl)-(3-pyridylmethyl)amino]propionitrile Formula: C14H16N5+ MolecularWeight: 254.31034

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CN(CCC#N)C2=C[NH+]=C(C=C2)N

Isomeric SMILES

C1=CC(=CN=C1)CN(CCC#N)C2=C[NH+]=C(C=C2)N

InChI

InChI=1S/C14H15N5/c15-6-2-8-19(11-12-3-1-7-17-9-12)13-4-5-14(16)18-10-13/h1,3-5,7,9-10H,2,8,11H2,(H2,16,18)/p+1