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

Systemtic Name: 2-ethoxycarbonyl-2-ethyl-4-methyl-pentanoic acid; trimethyl-(phenylmethyl)azanium Openeye Name: benzyl(trimethyl)ammonium; 2-ethoxycarbonyl-2-ethyl-4-methyl-pentanoic acid CAS Name: 2-ethoxycarbonyl-2-ethyl-4-methylpentanoic acid; trimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl(trimethyl)azanium; 2-ethoxycarbonyl-2-ethyl-4-methylpentanoic acid Traditional Name: benzyl(trimethyl)ammonium; 2-carbethoxy-2-ethyl-4-methyl-valeric acid Formula: C21H36NO4+ MolecularWeight: 366.51484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H20O4.C10H16N/c1-5-11(9(12)13,7-8(3)4)10(14)15-6-2;1-11(2,3)9-10-7-5-4-6-8-10/h8H,5-7H2,1-4H3,(H,12,13);4-8H,9H2,1-3H3/q;+1