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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCOC2=CC=CC=C2C#N

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCOC2=CC=CC=C2C#N

InChI

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