(2R)-2-(3-methoxyphenyl)-2-piperazin-4-ium-1-yl-ethanenitrile

Systemtic Name: (2R)-2-(3-methoxyphenyl)-2-piperazin-4-ium-1-yl-ethanenitrile Openeye Name: (2R)-2-(3-methoxyphenyl)-2-piperazin-4-ium-1-yl-acetonitrile CAS Name: (2R)-2-(3-methoxyphenyl)-2-(1-piperazin-4-iumyl)acetonitrile IUPAC Name: (2R)-2-(3-methoxyphenyl)-2-piperazin-4-ium-1-ylacetonitrile Traditional Name: (2R)-2-(3-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(=C1)C(C#N)N2CC[NH2+]CC2

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O/c1-17-12-4-2-3-11(9-12)13(10-14)16-7-5-15-6-8-16/h2-4,9,13,15H,5-8H2,1H3/p+1/t13-/m0/s1