3-[phenyl(pyridin-1-ium-4-yl)amino]propanenitrile

Systemtic Name: 3-[phenyl(pyridin-1-ium-4-yl)amino]propanenitrile Openeye Name: 3-(N-pyridin-1-ium-4-ylanilino)propanenitrile CAS Name: 3-[N-(4-pyridin-1-iumyl)anilino]propanenitrile IUPAC Name: 3-(N-pyridin-1-ium-4-ylanilino)propanenitrile Traditional Name: 3-(N-pyridin-1-ium-4-ylanilino)propionitrile Formula: C14H14N3+ MolecularWeight: 224.28106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3/c15-9-4-12-17(13-5-2-1-3-6-13)14-7-10-16-11-8-14/h1-3,5-8,10-11H,4,12H2/p+1