dimethyl-[4-(9-oxidanylfluoren-9-yl)but-3-ynyl]-(phenylmethyl)azanium chloride

Systemtic Name: dimethyl-[4-(9-oxidanylfluoren-9-yl)but-3-ynyl]-(phenylmethyl)azanium chloride Openeye Name: benzyl-[4-(9-hydroxyfluoren-9-yl)but-3-ynyl]-dimethyl-ammonium chloride CAS Name: 4-(9-hydroxy-9-fluorenyl)but-3-ynyl-dimethyl-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-[4-(9-hydroxyfluoren-9-yl)but-3-ynyl]-dimethylazanium chloride Traditional Name: benzyl-[4-(9-hydroxyfluoren-9-yl)but-3-ynyl]-dimethyl-ammonium chloride Formula: C26H26ClNO MolecularWeight: 403.94374

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCC#CC1(C2=CC=CC=C2C3=CC=CC=C31)O)CC4=CC=CC=C4.[Cl-]

Isomeric SMILES

C[N+](C)(CCC#CC1(C2=CC=CC=C2C3=CC=CC=C31)O)CC4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C26H26NO.ClH/c1-27(2,20-21-12-4-3-5-13-21)19-11-10-18-26(28)24-16-8-6-14-22(24)23-15-7-9-17-25(23)26;/h3-9,12-17,28H,11,19-20H2,1-2H3;1H/q+1;/p-1