4-[4-(4-ethylpiperazine-1,4-diium-1-yl)butoxy]benzenecarbonitrile

Systemtic Name: 4-[4-(4-ethylpiperazine-1,4-diium-1-yl)butoxy]benzenecarbonitrile Openeye Name: 4-[4-(4-ethylpiperazine-1,4-diium-1-yl)butoxy]benzonitrile CAS Name: 4-[4-(4-ethyl-1-piperazine-1,4-diiumyl)butoxy]benzonitrile IUPAC Name: 4-[4-(4-ethylpiperazine-1,4-diium-1-yl)butoxy]benzonitrile Traditional Name: 4-[4-(4-ethylpiperazine-1,4-diium-1-yl)butoxy]benzonitrile Formula: C17H27N3O+2 MolecularWeight: 289.41578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CCCCOC2=CC=C(C=C2)C#N

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CCCCOC2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H25N3O/c1-2-19-10-12-20(13-11-19)9-3-4-14-21-17-7-5-16(15-18)6-8-17/h5-8H,2-4,9-14H2,1H3/p+2