2-butoxycarbonyl-2-ethyl-4-methyl-pentanoic acid; trimethyl-(phenylmethyl)azanium

Systemtic Name: 2-butoxycarbonyl-2-ethyl-4-methyl-pentanoic acid; trimethyl-(phenylmethyl)azanium Openeye Name: benzyl(trimethyl)ammonium; 2-butoxycarbonyl-2-ethyl-4-methyl-pentanoic acid CAS Name: 2-[butoxy(oxo)methyl]-2-ethyl-4-methylpentanoic acid; trimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl(trimethyl)azanium; 2-butoxycarbonyl-2-ethyl-4-methylpentanoic acid Traditional Name: benzyl(trimethyl)ammonium; 2-butoxycarbonyl-2-ethyl-4-methyl-valeric acid Formula: C23H40NO4+ MolecularWeight: 394.568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H24O4.C10H16N/c1-5-7-8-17-12(16)13(6-2,11(14)15)9-10(3)4;1-11(2,3)9-10-7-5-4-6-8-10/h10H,5-9H2,1-4H3,(H,14,15);4-8H,9H2,1-3H3/q;+1