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

Systemtic Name: 4-[2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethoxy]ethoxy]benzenecarbonitrile Openeye Name: 4-[2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethoxy]ethoxy]benzonitrile CAS Name: 4-[2-[2-(4-methyl-1-piperazine-1,4-diiumyl)ethoxy]ethoxy]benzonitrile IUPAC Name: 4-[2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethoxy]ethoxy]benzonitrile Traditional Name: 4-[2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethoxy]ethoxy]benzonitrile Formula: C16H25N3O2+2 MolecularWeight: 291.3886

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCOCCOC2=CC=C(C=C2)C#N

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCOCCOC2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H23N3O2/c1-18-6-8-19(9-7-18)10-11-20-12-13-21-16-4-2-15(14-17)3-5-16/h2-5H,6-13H2,1H3/p+2