1,3-benzodioxol-5-yl-[(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[(3S)-1-[(5-ethyl-2-furyl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[(3S)-1-[(5-ethyl-2-furanyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[(3S)-1-[(5-ethyl-2-furyl)methyl]piperidin-1-ium-3-yl]methanone Formula: C20H24NO4+ MolecularWeight: 342.40886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(O1)C[NH+]2CCCC(C2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC1=CC=C(O1)C[NH+]2CCC[C@@H](C2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H23NO4/c1-2-16-6-7-17(25-16)12-21-9-3-4-15(11-21)20(22)14-5-8-18-19(10-14)24-13-23-18/h5-8,10,15H,2-4,9,11-13H2,1H3/p+1/t15-/m0/s1