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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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