2-(butylcarbamoyl)-2-ethyl-butanoate; trimethyl-(phenylmethyl)azanium

Systemtic Name: 2-(butylcarbamoyl)-2-ethyl-butanoate; trimethyl-(phenylmethyl)azanium Openeye Name: benzyl(trimethyl)ammonium; 2-(butylcarbamoyl)-2-ethyl-butanoate CAS Name: 2-[butylamino(oxo)methyl]-2-ethylbutanoate; trimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl(trimethyl)azanium; 2-(butylcarbamoyl)-2-ethylbutanoate Traditional Name: benzyl(trimethyl)ammonium; 2-(butylcarbamoyl)-2-ethyl-butyrate Formula: C21H36N2O3 MolecularWeight: 364.52214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H21NO3.C10H16N/c1-4-7-8-12-9(13)11(5-2,6-3)10(14)15;1-11(2,3)9-10-7-5-4-6-8-10/h4-8H2,1-3H3,(H,12,13)(H,14,15);4-8H,9H2,1-3H3/q;+1/p-1