(3R)-3-[4-(1,3-benzodioxol-5-yloxy)piperidin-1-ium-1-yl]-1-phenyl-pyrrolidine-2,5-dione

Systemtic Name: (3R)-3-[4-(1,3-benzodioxol-5-yloxy)piperidin-1-ium-1-yl]-1-phenyl-pyrrolidine-2,5-dione Openeye Name: (3R)-3-[4-(1,3-benzodioxol-5-yloxy)piperidin-1-ium-1-yl]-1-phenyl-pyrrolidine-2,5-dione CAS Name: (3R)-3-[4-(1,3-benzodioxol-5-yloxy)-1-piperidin-1-iumyl]-1-phenylpyrrolidine-2,5-dione IUPAC Name: (3R)-3-[4-(1,3-benzodioxol-5-yloxy)piperidin-1-ium-1-yl]-1-phenylpyrrolidine-2,5-dione Traditional Name: (3R)-3-[4-(1,3-benzodioxol-5-yloxy)piperidin-1-ium-1-yl]-1-phenyl-pyrrolidine-2,5-quinone Formula: C22H23N2O5+ MolecularWeight: 395.42842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1OC2=CC3=C(C=C2)OCO3)C4CC(=O)N(C4=O)C5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1OC2=CC3=C(C=C2)OCO3)[C@@H]4CC(=O)N(C4=O)C5=CC=CC=C5

InChI

InChI=1S/C22H22N2O5/c25-21-13-18(22(26)24(21)15-4-2-1-3-5-15)23-10-8-16(9-11-23)29-17-6-7-19-20(12-17)28-14-27-19/h1-7,12,16,18H,8-11,13-14H2/p+1/t18-/m1/s1