(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethanenitrile

Systemtic Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethanenitrile Openeye Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylpiperazin-4-ium-1-yl)acetonitrile CAS Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methyl-1-piperazin-4-iumyl)acetonitrile IUPAC Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylpiperazin-4-ium-1-yl)acetonitrile Traditional Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylpiperazin-4-ium-1-yl)acetonitrile Formula: C15H20N3O2+ MolecularWeight: 274.3382

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(C#N)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C[NH+]1CCN(CC1)[C@H](C#N)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C15H19N3O2/c1-17-4-6-18(7-5-17)13(11-16)12-2-3-14-15(10-12)20-9-8-19-14/h2-3,10,13H,4-9H2,1H3/p+1/t13-/m1/s1