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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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