[(5S)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl]azanium; (2S)-2-[4-(2-methylpropyl)phenyl]propanoate

Systemtic Name: [(5S)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl]azanium; (2S)-2-[4-(2-methylpropyl)phenyl]propanoate Openeye Name: [(5S)-5-amino-6-hydroxy-6-oxo-hexyl]ammonium; (2S)-2-(4-isobutylphenyl)propanoate CAS Name: [(5S)-5-amino-6-hydroxy-6-oxohexyl]ammonium; (2S)-2-[4-(2-methylpropyl)phenyl]propanoate IUPAC Name: [(5S)-5-amino-6-hydroxy-6-oxohexyl]azanium; (2S)-2-[4-(2-methylpropyl)phenyl]propanoate Traditional Name: [(5S)-5-amino-6-hydroxy-6-keto-hexyl]ammonium; (2S)-2-(4-isobutylphenyl)propionate Formula: C19H32N2O4 MolecularWeight: 352.46838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)C(=O)[O-].C(CC[NH3+])CC(C(=O)O)N

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)CC(C)C)C(=O)[O-].C(CC[NH3+])C[C@@H](C(=O)O)N

InChI

InChI=1S/C13H18O2.C6H14N2O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;7-4-2-1-3-5(8)6(9)10/h4-7,9-10H,8H2,1-3H3,(H,14,15);5H,1-4,7-8H2,(H,9,10)/t10-;5-/m00/s1