4-[2-(4-methylpiperazine-1,4-diium-1-yl)ethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-(4-methylpiperazine-1,4-diium-1-yl)ethoxy]benzenecarbonitrile Openeye Name: 4-[2-(4-methylpiperazine-1,4-diium-1-yl)ethoxy]benzonitrile CAS Name: 4-[2-(4-methyl-1-piperazine-1,4-diiumyl)ethoxy]benzonitrile IUPAC Name: 4-[2-(4-methylpiperazine-1,4-diium-1-yl)ethoxy]benzonitrile Traditional Name: 4-[2-(4-methylpiperazine-1,4-diium-1-yl)ethoxy]benzonitrile Formula: C14H21N3O+2 MolecularWeight: 247.33604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCOC2=CC=C(C=C2)C#N

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCOC2=CC=C(C=C2)C#N

InChI

InChI=1S/C14H19N3O/c1-16-6-8-17(9-7-16)10-11-18-14-4-2-13(12-15)3-5-14/h2-5H,6-11H2,1H3/p+2