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

Systemtic Name: (2R)-2-(3,4-dimethoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethanenitrile Openeye Name: (2R)-2-(3,4-dimethoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)acetonitrile CAS Name: (2R)-2-(3,4-dimethoxyphenyl)-2-(4-methyl-1-piperazin-4-iumyl)acetonitrile IUPAC Name: (2R)-2-(3,4-dimethoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)acetonitrile Traditional Name: (2R)-2-(3,4-dimethoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)acetonitrile Formula: C15H22N3O2+ MolecularWeight: 276.35408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O2/c1-17-6-8-18(9-7-17)13(11-16)12-4-5-14(19-2)15(10-12)20-3/h4-5,10,13H,6-9H2,1-3H3/p+1/t13-/m0/s1