(2R)-2-(2-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethanenitrile

Systemtic Name: (2R)-2-(2-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethanenitrile Openeye Name: (2R)-2-(2-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)acetonitrile CAS Name: (2R)-2-(2-methoxyphenyl)-2-(4-methyl-1-piperazin-4-iumyl)acetonitrile IUPAC Name: (2R)-2-(2-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)acetonitrile Traditional Name: (2R)-2-(2-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)acetonitrile Formula: C14H20N3O+ MolecularWeight: 246.3281

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(C#N)C2=CC=CC=C2OC

Isomeric SMILES

C[NH+]1CCN(CC1)[C@@H](C#N)C2=CC=CC=C2OC

InChI

InChI=1S/C14H19N3O/c1-16-7-9-17(10-8-16)13(11-15)12-5-3-4-6-14(12)18-2/h3-6,13H,7-10H2,1-2H3/p+1/t13-/m0/s1