4-(2-cyanoethyl)-4-[1-(2-pyridin-2-ylethyl)pyridin-1-ium-4-yl]heptanedinitrile

Systemtic Name: 4-(2-cyanoethyl)-4-[1-(2-pyridin-2-ylethyl)pyridin-1-ium-4-yl]heptanedinitrile Openeye Name: 4-(2-cyanoethyl)-4-[1-[2-(2-pyridyl)ethyl]pyridin-1-ium-4-yl]heptanedinitrile CAS Name: 4-(2-cyanoethyl)-4-[1-[2-(2-pyridinyl)ethyl]-4-pyridin-1-iumyl]heptanedinitrile IUPAC Name: 4-(2-cyanoethyl)-4-[1-(2-pyridin-2-ylethyl)pyridin-1-ium-4-yl]heptanedinitrile Traditional Name: 4-(2-cyanoethyl)-4-[1-[2-(2-pyridyl)ethyl]pyridin-1-ium-4-yl]pimelonitrile Formula: C22H24N5+ MolecularWeight: 358.45946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CC[N+]2=CC=C(C=C2)C(CCC#N)(CCC#N)CCC#N

Isomeric SMILES

C1=CC=NC(=C1)CC[N+]2=CC=C(C=C2)C(CCC#N)(CCC#N)CCC#N

InChI

InChI=1S/C22H24N5/c23-13-3-10-22(11-4-14-24,12-5-15-25)20-7-17-27(18-8-20)19-9-21-6-1-2-16-26-21/h1-2,6-8,16-18H,3-5,9-12,19H2/q+1