(3R,4R)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-(2,3-dihydrobenzofuran-5-ylmethyl)-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-(2,3-dihydrobenzofuran-5-ylmethyl)-4-(4-methyl-1-piperazin-4-iumyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-(coumaran-5-ylmethyl)-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Formula: C19H31N3O2+2 MolecularWeight: 333.46834

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2CC[NH+](CC2O)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

C[NH+]1CCN(CC1)[C@@H]2CC[NH+](C[C@H]2O)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C19H29N3O2/c1-20-7-9-22(10-8-20)17-4-6-21(14-18(17)23)13-15-2-3-19-16(12-15)5-11-24-19/h2-3,12,17-18,23H,4-11,13-14H2,1H3/p+2/t17-,18-/m1/s1