2-[2-(4-chloranylphenoxy)ethylamino]pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-[2-(4-chloranylphenoxy)ethylamino]pyridin-1-ium-3-carbonitrile Openeye Name: 2-[2-(4-chlorophenoxy)ethylamino]pyridin-1-ium-3-carbonitrile CAS Name: 2-[2-(4-chlorophenoxy)ethylamino]-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[2-(4-chlorophenoxy)ethylamino]pyridin-1-ium-3-carbonitrile Traditional Name: 2-[2-(4-chlorophenoxy)ethylamino]pyridin-1-ium-3-carbonitrile Formula: C14H13ClN3O+ MolecularWeight: 274.72552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C([NH+]=C1)NCCOC2=CC=C(C=C2)Cl)C#N

Isomeric SMILES

C1=CC(=C([NH+]=C1)NCCOC2=CC=C(C=C2)Cl)C#N

InChI

InChI=1S/C14H12ClN3O/c15-12-3-5-13(6-4-12)19-9-8-18-14-11(10-16)2-1-7-17-14/h1-7H,8-9H2,(H,17,18)/p+1