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

Systemtic Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-N-piperonylpyrrolidin-1-ium-2-carboxamide Formula: C13H17N2O3+ MolecularWeight: 249.28568

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)C(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1C[C@H]([NH2+]C1)C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H16N2O3/c16-13(10-2-1-5-14-10)15-7-9-3-4-11-12(6-9)18-8-17-11/h3-4,6,10,14H,1-2,5,7-8H2,(H,15,16)/p+1/t10-/m0/s1