2,2-dimethylpentanoate; 2-oxidanylpropyl(tripentyl)azanium

Systemtic Name: 2,2-dimethylpentanoate; 2-oxidanylpropyl(tripentyl)azanium Openeye Name: 2,2-dimethylpentanoate; 2-hydroxypropyl(tripentyl)ammonium CAS Name: 2,2-dimethylpentanoate; 2-hydroxypropyl(tripentyl)ammonium IUPAC Name: 2,2-dimethylpentanoate; 2-hydroxypropyl(tripentyl)azanium Traditional Name: 2,2-dimethylvalerate; triamyl(2-hydroxypropyl)ammonium Formula: C25H53NO3 MolecularWeight: 415.69322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H40NO.C7H14O2/c1-5-8-11-14-19(17-18(4)20,15-12-9-6-2)16-13-10-7-3;1-4-5-7(2,3)6(8)9/h18,20H,5-17H2,1-4H3;4-5H2,1-3H3,(H,8,9)/q+1;/p-1