2-(4-methylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)ethanenitrile chloride

Systemtic Name: 2-(4-methylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)ethanenitrile chloride Openeye Name: 2-(4-methylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)acetonitrile chloride CAS Name: 2-(4-methyl-1-piperazinyl)-2-(3,4,5-trimethoxyphenyl)acetonitrile chloride IUPAC Name: 2-(4-methylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)acetonitrile chloride Traditional Name: 2-(4-methylpiperazino)-2-(3,4,5-trimethoxyphenyl)acetonitrile chloride Formula: C16H23ClN3O3- MolecularWeight: 340.82512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(C#N)C2=CC(=C(C(=C2)OC)OC)OC.[Cl-]

Isomeric SMILES

CN1CCN(CC1)C(C#N)C2=CC(=C(C(=C2)OC)OC)OC.[Cl-]

InChI

InChI=1S/C16H23N3O3.ClH/c1-18-5-7-19(8-6-18)13(11-17)12-9-14(20-2)16(22-4)15(10-12)21-3;/h9-10,13H,5-8H2,1-4H3;1H/p-1