3-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]propanenitrile

Systemtic Name: 3-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]propanenitrile Openeye Name: 3-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]propanenitrile CAS Name: 3-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidin-1-iumyl]propanenitrile IUPAC Name: 3-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]propanenitrile Traditional Name: 3-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]propionitrile Formula: C15H19N2O2+ MolecularWeight: 259.32356

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CCC#N)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C1C[C@H]([NH+](C1)CCC#N)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C15H18N2O2/c16-6-2-8-17-7-1-3-13(17)12-4-5-14-15(11-12)19-10-9-18-14/h4-5,11,13H,1-3,7-10H2/p+1/t13-/m0/s1