N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-piperonylamide Formula: C19H23N2O4+ MolecularWeight: 343.39692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CNC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=CO4

InChI

InChI=1S/C19H22N2O4/c22-19(14-6-7-17-18(11-14)25-13-24-17)20-12-15(16-5-4-10-23-16)21-8-2-1-3-9-21/h4-7,10-11,15H,1-3,8-9,12-13H2,(H,20,22)/p+1/t15-/m0/s1