(2R)-2-(2-methoxyphenyl)-2-piperazin-4-ium-1-yl-ethanenitrile

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(C#N)N2CC[NH2+]CC2

Isomeric SMILES

COC1=CC=CC=C1[C@H](C#N)N2CC[NH2+]CC2

InChI

InChI=1S/C13H17N3O/c1-17-13-5-3-2-4-11(13)12(10-14)16-8-6-15-7-9-16/h2-5,12,15H,6-9H2,1H3/p+1/t12-/m0/s1