[(3S)-1-[1-(1-benzofuran-2-ylmethyl)piperidin-4-yl]piperidin-1-ium-3-yl]methanol

Systemtic Name: [(3S)-1-[1-(1-benzofuran-2-ylmethyl)piperidin-4-yl]piperidin-1-ium-3-yl]methanol Openeye Name: [(3S)-1-[1-(benzofuran-2-ylmethyl)-4-piperidyl]piperidin-1-ium-3-yl]methanol CAS Name: [(3S)-1-[1-(2-benzofuranylmethyl)-4-piperidinyl]-3-piperidin-1-iumyl]methanol IUPAC Name: [(3S)-1-[1-(1-benzofuran-2-ylmethyl)piperidin-4-yl]piperidin-1-ium-3-yl]methanol Traditional Name: [(3S)-1-[1-(benzofuran-2-ylmethyl)-4-piperidyl]piperidin-1-ium-3-yl]methanol Formula: C20H29N2O2+ MolecularWeight: 329.45646

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCN(CC2)CC3=CC4=CC=CC=C4O3)CO

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCN(CC2)CC3=CC4=CC=CC=C4O3)CO

InChI

InChI=1S/C20H28N2O2/c23-15-16-4-3-9-22(13-16)18-7-10-21(11-8-18)14-19-12-17-5-1-2-6-20(17)24-19/h1-2,5-6,12,16,18,23H,3-4,7-11,13-15H2/p+1/t16-/m0/s1