4-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 4-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethoxy]benzonitrile CAS Name: 4-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethoxy]benzonitrile IUPAC Name: 4-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethoxy]benzonitrile Traditional Name: 4-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethoxy]benzonitrile Formula: C14H18N3O2+ MolecularWeight: 260.31162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)COC2=CC=C(C=C2)C#N

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)COC2=CC=C(C=C2)C#N

InChI

InChI=1S/C14H17N3O2/c1-16-6-8-17(9-7-16)14(18)11-19-13-4-2-12(10-15)3-5-13/h2-5H,6-9,11H2,1H3/p+1