N-[(3S)-piperidin-1-ium-3-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(3S)-piperidin-1-ium-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(3S)-piperidin-1-ium-3-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(3S)-3-piperidin-1-iumyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(3S)-piperidin-1-ium-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(3S)-piperidin-1-ium-3-yl]-piperonylamide Formula: C13H17N2O3+ MolecularWeight: 249.28568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O3/c16-13(15-10-2-1-5-14-7-10)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