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

Systemtic Name: (3R,4R)-1-(1-benzofuran-2-ylmethyl)-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-(benzofuran-2-ylmethyl)-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-(2-benzofuranylmethyl)-4-(4-methyl-1-piperazin-4-iumyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-(1-benzofuran-2-ylmethyl)-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-(benzofuran-2-ylmethyl)-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-ium-3-ol Formula: C19H29N3O2+2 MolecularWeight: 331.45246

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2CC[NH+](CC2O)CC3=CC4=CC=CC=C4O3

Isomeric SMILES

C[NH+]1CCN(CC1)[C@@H]2CC[NH+](C[C@H]2O)CC3=CC4=CC=CC=C4O3

InChI

InChI=1S/C19H27N3O2/c1-20-8-10-22(11-9-20)17-6-7-21(14-18(17)23)13-16-12-15-4-2-3-5-19(15)24-16/h2-5,12,17-18,23H,6-11,13-14H2,1H3/p+2/t17-,18-/m1/s1