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

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethanenitrile Openeye Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-4-ium-1-yl)acetonitrile CAS Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methyl-1-piperazin-4-iumyl)acetonitrile IUPAC Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-4-ium-1-yl)acetonitrile Traditional Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-4-ium-1-yl)acetonitrile Formula: C14H18N3O2+ MolecularWeight: 260.31162

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(C#N)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[NH+]1CCN(CC1)[C@H](C#N)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H17N3O2/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/p+1/t12-/m1/s1