5-methylheptanoate; trimethyl(2-oxidanylpropyl)azanium

Systemtic Name: 5-methylheptanoate; trimethyl(2-oxidanylpropyl)azanium Openeye Name: 2-hydroxypropyl(trimethyl)ammonium; 5-methylheptanoate CAS Name: 2-hydroxypropyl(trimethyl)ammonium; 5-methylheptanoate IUPAC Name: 2-hydroxypropyl(trimethyl)azanium; 5-methylheptanoate Traditional Name: 2-hydroxypropyl(trimethyl)ammonium; 5-methylenanthate Formula: C14H31NO3 MolecularWeight: 261.40084

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCCC(=O)[O-].CC(C[N+](C)(C)C)O

Isomeric SMILES

CCC(C)CCCC(=O)[O-].CC(C[N+](C)(C)C)O

InChI

InChI=1S/C8H16O2.C6H16NO/c1-3-7(2)5-4-6-8(9)10;1-6(8)5-7(2,3)4/h7H,3-6H2,1-2H3,(H,9,10);6,8H,5H2,1-4H3/q;+1/p-1