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

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(4-ethylpiperazin-4-ium-1-yl)ethanenitrile Openeye Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(4-ethylpiperazin-4-ium-1-yl)acetonitrile CAS Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(4-ethyl-1-piperazin-4-iumyl)acetonitrile IUPAC Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(4-ethylpiperazin-4-ium-1-yl)acetonitrile Traditional Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(4-ethylpiperazin-4-ium-1-yl)acetonitrile Formula: C15H20N3O2+ MolecularWeight: 274.3382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O2/c1-2-17-5-7-18(8-6-17)13(10-16)12-3-4-14-15(9-12)20-11-19-14/h3-4,9,13H,2,5-8,11H2,1H3/p+1/t13-/m1/s1