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

Systemtic Name: (2R)-2-(2,3-dimethoxyphenyl)-2-piperazin-4-ium-1-yl-ethanenitrile Openeye Name: (2R)-2-(2,3-dimethoxyphenyl)-2-piperazin-4-ium-1-yl-acetonitrile CAS Name: (2R)-2-(2,3-dimethoxyphenyl)-2-(1-piperazin-4-iumyl)acetonitrile IUPAC Name: (2R)-2-(2,3-dimethoxyphenyl)-2-piperazin-4-ium-1-ylacetonitrile Traditional Name: (2R)-2-(2,3-dimethoxyphenyl)-2-piperazin-4-ium-1-yl-acetonitrile Formula: C14H20N3O2+ MolecularWeight: 262.3275

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C(C#N)N2CC[NH2+]CC2

Isomeric SMILES

COC1=CC=CC(=C1OC)[C@H](C#N)N2CC[NH2+]CC2

InChI

InChI=1S/C14H19N3O2/c1-18-13-5-3-4-11(14(13)19-2)12(10-15)17-8-6-16-7-9-17/h3-5,12,16H,6-9H2,1-2H3/p+1/t12-/m0/s1