2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethanenitrile hydrochloride

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethanenitrile hydrochloride Openeye Name: 2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)acetonitrile hydrochloride CAS Name: 2-(1,3-benzodioxol-5-yl)-2-(4-methyl-1-piperazinyl)acetonitrile hydrochloride IUPAC Name: 2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)acetonitrile hydrochloride Traditional Name: 2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazino)acetonitrile hydrochloride Formula: C14H18ClN3O2 MolecularWeight: 295.76462

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(C#N)C2=CC3=C(C=C2)OCO3.Cl

Isomeric SMILES

CN1CCN(CC1)C(C#N)C2=CC3=C(C=C2)OCO3.Cl

InChI

InChI=1S/C14H17N3O2.ClH/c1-16-4-6-17(7-5-16)12(9-15)11-2-3-13-14(8-11)19-10-18-13;/h2-3,8,12H,4-7,10H2,1H3;1H