2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethanenitrile

Systemtic Name: 2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethanenitrile Openeye Name: 2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetonitrile CAS Name: 2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]acetonitrile IUPAC Name: 2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetonitrile Traditional Name: 2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetonitrile Formula: C13H18N3O+ MolecularWeight: 232.30152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)CC#N

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)CC#N

InChI

InChI=1S/C13H17N3O/c1-17-13-5-3-2-4-12(13)16-10-8-15(7-6-14)9-11-16/h2-5H,7-11H2,1H3/p+1