tert-butyl-[(4S)-4-(3-fluorophenyl)-4-oxidanyl-4-phenyl-but-2-ynyl]-(phenylmethyl)azanium

Systemtic Name: tert-butyl-[(4S)-4-(3-fluorophenyl)-4-oxidanyl-4-phenyl-but-2-ynyl]-(phenylmethyl)azanium Openeye Name: benzyl-tert-butyl-[(4S)-4-(3-fluorophenyl)-4-hydroxy-4-phenyl-but-2-ynyl]ammonium CAS Name: tert-butyl-[(4S)-4-(3-fluorophenyl)-4-hydroxy-4-phenylbut-2-ynyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-tert-butyl-[(4S)-4-(3-fluorophenyl)-4-hydroxy-4-phenylbut-2-ynyl]azanium Traditional Name: benzyl-tert-butyl-[(4S)-4-(3-fluorophenyl)-4-hydroxy-4-phenyl-but-2-ynyl]ammonium Formula: C27H29FNO+ MolecularWeight: 402.523663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH+](CC#CC(C1=CC=CC=C1)(C2=CC(=CC=C2)F)O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)[NH+](CC#C[C@](C1=CC=CC=C1)(C2=CC(=CC=C2)F)O)CC3=CC=CC=C3

InChI

InChI=1S/C27H28FNO/c1-26(2,3)29(21-22-12-6-4-7-13-22)19-11-18-27(30,23-14-8-5-9-15-23)24-16-10-17-25(28)20-24/h4-10,12-17,20,30H,19,21H2,1-3H3/p+1/t27-/m0/s1