2-ethyl-2-(phenylcarbamoyl)hexanoate; trimethyl-(phenylmethyl)azanium

Systemtic Name: 2-ethyl-2-(phenylcarbamoyl)hexanoate; trimethyl-(phenylmethyl)azanium Openeye Name: benzyl(trimethyl)ammonium; 2-ethyl-2-(phenylcarbamoyl)hexanoate CAS Name: 2-[anilino(oxo)methyl]-2-ethylhexanoate; trimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl(trimethyl)azanium; 2-ethyl-2-(phenylcarbamoyl)hexanoate Traditional Name: benzyl(trimethyl)ammonium; 2-ethyl-2-(phenylcarbamoyl)hexanoate Formula: C25H36N2O3 MolecularWeight: 412.56494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)(C(=O)NC1=CC=CC=C1)C(=O)[O-].C[N+](C)(C)CC1=CC=CC=C1

Isomeric SMILES

CCCCC(CC)(C(=O)NC1=CC=CC=C1)C(=O)[O-].C[N+](C)(C)CC1=CC=CC=C1

InChI

InChI=1S/C15H21NO3.C10H16N/c1-3-5-11-15(4-2,14(18)19)13(17)16-12-9-7-6-8-10-12;1-11(2,3)9-10-7-5-4-6-8-10/h6-10H,3-5,11H2,1-2H3,(H,16,17)(H,18,19);4-8H,9H2,1-3H3/q;+1/p-1