tert-butyl-[(4S)-4-oxidanyl-4-phenyl-pent-2-ynyl]-(phenylmethyl)azanium

Systemtic Name: tert-butyl-[(4S)-4-oxidanyl-4-phenyl-pent-2-ynyl]-(phenylmethyl)azanium Openeye Name: benzyl-tert-butyl-[(4S)-4-hydroxy-4-phenyl-pent-2-ynyl]ammonium CAS Name: tert-butyl-[(4S)-4-hydroxy-4-phenylpent-2-ynyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-tert-butyl-[(4S)-4-hydroxy-4-phenylpent-2-ynyl]azanium Traditional Name: benzyl-tert-butyl-[(4S)-4-hydroxy-4-phenyl-pent-2-ynyl]ammonium Formula: C22H28NO+ MolecularWeight: 322.46382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH+](CC#CC(C)(C1=CC=CC=C1)O)CC2=CC=CC=C2

Isomeric SMILES

C[C@@](C#CC[NH+](CC1=CC=CC=C1)C(C)(C)C)(C2=CC=CC=C2)O

InChI

InChI=1S/C22H27NO/c1-21(2,3)23(18-19-12-7-5-8-13-19)17-11-16-22(4,24)20-14-9-6-10-15-20/h5-10,12-15,24H,17-18H2,1-4H3/p+1/t22-/m1/s1