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

Systemtic Name: (2R)-2-(3-hydroxyphenyl)-2-piperazin-4-ium-1-yl-ethanenitrile Openeye Name: (2R)-2-(3-hydroxyphenyl)-2-piperazin-4-ium-1-yl-acetonitrile CAS Name: (2R)-2-(3-hydroxyphenyl)-2-(1-piperazin-4-iumyl)acetonitrile IUPAC Name: (2R)-2-(3-hydroxyphenyl)-2-piperazin-4-ium-1-ylacetonitrile Traditional Name: (2R)-2-(3-hydroxyphenyl)-2-piperazin-4-ium-1-yl-acetonitrile Formula: C12H16N3O+ MolecularWeight: 218.27494

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(C#N)C2=CC(=CC=C2)O

Isomeric SMILES

C1CN(CC[NH2+]1)[C@@H](C#N)C2=CC(=CC=C2)O

InChI

InChI=1S/C12H15N3O/c13-9-12(15-6-4-14-5-7-15)10-2-1-3-11(16)8-10/h1-3,8,12,14,16H,4-7H2/p+1/t12-/m0/s1