(2R)-2-[[(2S)-2-methyl-2-oxidanyl-4-phenyl-but-3-ynyl]azaniumyl]propanoate

Systemtic Name: (2R)-2-[[(2S)-2-methyl-2-oxidanyl-4-phenyl-but-3-ynyl]azaniumyl]propanoate Openeye Name: (2R)-2-[[(2S)-2-hydroxy-2-methyl-4-phenyl-but-3-ynyl]ammonio]propanoate CAS Name: (2R)-2-[[(2S)-2-hydroxy-2-methyl-4-phenylbut-3-ynyl]ammonio]propanoate IUPAC Name: (2R)-2-[[(2S)-2-hydroxy-2-methyl-4-phenylbut-3-ynyl]azaniumyl]propanoate Traditional Name: (2R)-2-[[(2S)-2-hydroxy-2-methyl-4-phenyl-but-3-ynyl]ammonio]propionate Formula: C14H17NO3 MolecularWeight: 247.28968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])[NH2+]CC(C)(C#CC1=CC=CC=C1)O

Isomeric SMILES

C[C@H](C(=O)[O-])[NH2+]C[C@](C)(C#CC1=CC=CC=C1)O

InChI

InChI=1S/C14H17NO3/c1-11(13(16)17)15-10-14(2,18)9-8-12-6-4-3-5-7-12/h3-7,11,15,18H,10H2,1-2H3,(H,16,17)/t11-,14+/m1/s1