1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-1-ium-3-yl]piperazin-1-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-1-ium-3-yl]piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-(2,3-dihydrobenzofuran-5-ylmethyl)piperidin-1-ium-3-yl]piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-(2,3-dihydrobenzofuran-5-ylmethyl)-3-piperidin-1-iumyl]piperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-1-ium-3-yl]piperazin-1-ium Traditional Name: 1-[(3S)-1-(coumaran-5-ylmethyl)piperidin-1-ium-3-yl]-4-piperonyl-piperazin-4-ium Formula: C26H35N3O3+2 MolecularWeight: 437.5744

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC3=C(C=C2)OCC3)N4CC[NH+](CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC3=C(C=C2)OCC3)N4CC[NH+](CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C26H33N3O3/c1-2-23(18-28(8-1)17-20-3-5-24-22(14-20)7-13-30-24)29-11-9-27(10-12-29)16-21-4-6-25-26(15-21)32-19-31-25/h3-6,14-15,23H,1-2,7-13,16-19H2/p+2/t23-/m0/s1