4,4-dimethylpent-2-ynyl-[(1S,2R)-1-oxidanyl-1-phenyl-propan-2-yl]azanium

Systemtic Name: 4,4-dimethylpent-2-ynyl-[(1S,2R)-1-oxidanyl-1-phenyl-propan-2-yl]azanium Openeye Name: 4,4-dimethylpent-2-ynyl-[(1R,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]ammonium CAS Name: 4,4-dimethylpent-2-ynyl-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]ammonium IUPAC Name: 4,4-dimethylpent-2-ynyl-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]azanium Traditional Name: 4,4-dimethylpent-2-ynyl-[(1R,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]ammonium Formula: C16H24NO+ MolecularWeight: 246.36786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)O)[NH2+]CC#CC(C)(C)C

Isomeric SMILES

C[C@H]([C@H](C1=CC=CC=C1)O)[NH2+]CC#CC(C)(C)C

InChI

InChI=1S/C16H23NO/c1-13(17-12-8-11-16(2,3)4)15(18)14-9-6-5-7-10-14/h5-7,9-10,13,15,17-18H,12H2,1-4H3/p+1/t13-,15-/m1/s1