(2R)-2-(2-ethoxyphenyl)-2-(4-ethylpiperazin-4-ium-1-yl)ethanenitrile

Systemtic Name: (2R)-2-(2-ethoxyphenyl)-2-(4-ethylpiperazin-4-ium-1-yl)ethanenitrile Openeye Name: (2R)-2-(2-ethoxyphenyl)-2-(4-ethylpiperazin-4-ium-1-yl)acetonitrile CAS Name: (2R)-2-(2-ethoxyphenyl)-2-(4-ethyl-1-piperazin-4-iumyl)acetonitrile IUPAC Name: (2R)-2-(2-ethoxyphenyl)-2-(4-ethylpiperazin-4-ium-1-yl)acetonitrile Traditional Name: (2R)-2-(4-ethylpiperazin-4-ium-1-yl)-2-o-phenetyl-acetonitrile Formula: C16H24N3O+ MolecularWeight: 274.38126

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(C#N)C2=CC=CC=C2OCC

Isomeric SMILES

CC[NH+]1CCN(CC1)[C@@H](C#N)C2=CC=CC=C2OCC

InChI

InChI=1S/C16H23N3O/c1-3-18-9-11-19(12-10-18)15(13-17)14-7-5-6-8-16(14)20-4-2/h5-8,15H,3-4,9-12H2,1-2H3/p+1/t15-/m0/s1