4-[[4-[2-(4-ethoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(4-ethoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(4-ethoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-(4-ethoxyphenoxy)ethyl]-1-piperazine-1,4-diiumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(4-ethoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(4-ethoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]methyl]benzonitrile Formula: C22H29N3O2+2 MolecularWeight: 367.48456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCC[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)OCC[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H27N3O2/c1-2-26-21-7-9-22(10-8-21)27-16-15-24-11-13-25(14-12-24)18-20-5-3-19(17-23)4-6-20/h3-10H,2,11-16,18H2,1H3/p+2