9-[4-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]but-2-ynyl]fluoren-9-ol

Systemtic Name: 9-[4-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]but-2-ynyl]fluoren-9-ol Openeye Name: 9-[4-[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]but-2-ynyl]fluoren-9-ol CAS Name: 9-[4-[(2S)-2-(3-pyridinyl)-1-piperidin-1-iumyl]but-2-ynyl]-9-fluorenol IUPAC Name: 9-[4-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]but-2-ynyl]fluoren-9-ol Traditional Name: 9-[4-[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]but-2-ynyl]fluoren-9-ol Formula: C27H27N2O+ MolecularWeight: 395.51608

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C2=CN=CC=C2)CC#CCC3(C4=CC=CC=C4C5=CC=CC=C53)O

Isomeric SMILES

C1CC[NH+]([C@@H](C1)C2=CN=CC=C2)CC#CCC3(C4=CC=CC=C4C5=CC=CC=C53)O

InChI

InChI=1S/C27H26N2O/c30-27(24-13-3-1-11-22(24)23-12-2-4-14-25(23)27)16-6-8-19-29-18-7-5-15-26(29)21-10-9-17-28-20-21/h1-4,9-14,17,20,26,30H,5,7,15-16,18-19H2/p+1/t26-/m0/s1