tert-butyl-[(4R)-4-oxidanyl-4-phenyl-4-pyridin-3-yl-but-2-ynyl]-(phenylmethyl)azanium

Systemtic Name: tert-butyl-[(4R)-4-oxidanyl-4-phenyl-4-pyridin-3-yl-but-2-ynyl]-(phenylmethyl)azanium Openeye Name: benzyl-tert-butyl-[(4R)-4-hydroxy-4-phenyl-4-(3-pyridyl)but-2-ynyl]ammonium CAS Name: tert-butyl-[(4R)-4-hydroxy-4-phenyl-4-(3-pyridinyl)but-2-ynyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-tert-butyl-[(4R)-4-hydroxy-4-phenyl-4-pyridin-3-ylbut-2-ynyl]azanium Traditional Name: benzyl-tert-butyl-[(4R)-4-hydroxy-4-phenyl-4-(3-pyridyl)but-2-ynyl]ammonium Formula: C26H29N2O+ MolecularWeight: 385.52126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O/c1-25(2,3)28(21-22-12-6-4-7-13-22)19-11-17-26(29,23-14-8-5-9-15-23)24-16-10-18-27-20-24/h4-10,12-16,18,20,29H,19,21H2,1-3H3/p+1/t26-/m0/s1