3-(azaniumylmethyl)-4,4-dimethyl-pentanoate

Systemtic Name: 3-(azaniumylmethyl)-4,4-dimethyl-pentanoate Openeye Name: 3-(azaniumylmethyl)-4,4-dimethyl-pentanoate CAS Name: 3-(ammoniomethyl)-4,4-dimethylpentanoate IUPAC Name: 3-(azaniumylmethyl)-4,4-dimethylpentanoate Traditional Name: 3-(ammoniomethyl)-4,4-dimethyl-valerate Formula: C8H17NO2 MolecularWeight: 159.22608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H17NO2/c1-8(2,3)6(5-9)4-7(10)11/h6H,4-5,9H2,1-3H3,(H,10,11)