(2R)-2-(3-ethoxy-4-oxidanyl-phenyl)-2-piperazin-4-ium-1-yl-ethanenitrile

Systemtic Name: (2R)-2-(3-ethoxy-4-oxidanyl-phenyl)-2-piperazin-4-ium-1-yl-ethanenitrile Openeye Name: (2R)-2-(3-ethoxy-4-hydroxy-phenyl)-2-piperazin-4-ium-1-yl-acetonitrile CAS Name: (2R)-2-(3-ethoxy-4-hydroxyphenyl)-2-(1-piperazin-4-iumyl)acetonitrile IUPAC Name: (2R)-2-(3-ethoxy-4-hydroxyphenyl)-2-piperazin-4-ium-1-ylacetonitrile Traditional Name: (2R)-2-(3-ethoxy-4-hydroxy-phenyl)-2-piperazin-4-ium-1-yl-acetonitrile Formula: C14H20N3O2+ MolecularWeight: 262.3275

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C#N)N2CC[NH2+]CC2)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@H](C#N)N2CC[NH2+]CC2)O

InChI

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