(2S)-N-(1,3-benzodioxol-5-yl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-N-(1,3-benzodioxol-5-yl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-N-(1,3-benzodioxol-5-yl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-N-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-N-(1,3-benzodioxol-5-yl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-N-(1,3-benzodioxol-5-yl)pyrrolidin-1-ium-2-carboxamide Formula: C12H15N2O3+ MolecularWeight: 235.2591

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)C(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1C[C@H]([NH2+]C1)C(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C12H14N2O3/c15-12(9-2-1-5-13-9)14-8-3-4-10-11(6-8)17-7-16-10/h3-4,6,9,13H,1-2,5,7H2,(H,14,15)/p+1/t9-/m0/s1