(2R,4S)-2-azaniumyl-2-ethyl-4-methyl-hexanoate

Systemtic Name: (2R,4S)-2-azaniumyl-2-ethyl-4-methyl-hexanoate Openeye Name: (2R,4S)-2-azaniumyl-2-ethyl-4-methyl-hexanoate CAS Name: (2R,4S)-2-ammonio-2-ethyl-4-methylhexanoate IUPAC Name: (2R,4S)-2-azaniumyl-2-ethyl-4-methylhexanoate Traditional Name: (2R,4S)-2-ammonio-2-ethyl-4-methyl-hexanoate Formula: C9H19NO2 MolecularWeight: 173.25266

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(CC)(C(=O)[O-])[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C9H19NO2/c1-4-7(3)6-9(10,5-2)8(11)12/h7H,4-6,10H2,1-3H3,(H,11,12)/t7-,9+/m0/s1