[4-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[1-(2,3-dihydrobenzofuran-5-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[1-(2,3-dihydrobenzofuran-5-ylmethyl)-4-piperidin-1-iumyl]oxy]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[1-(coumaran-5-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidino-methanone Formula: C25H31N2O3+ MolecularWeight: 407.52524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C25H30N2O3/c28-25(27-12-1-2-13-27)20-4-6-22(7-5-20)30-23-9-14-26(15-10-23)18-19-3-8-24-21(17-19)11-16-29-24/h3-8,17,23H,1-2,9-16,18H2/p+1