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

Systemtic Name: 2-(cyclohexylcarbamoyl)-2-ethyl-butanoate; trimethyl-(phenylmethyl)azanium Openeye Name: benzyl(trimethyl)ammonium; 2-(cyclohexylcarbamoyl)-2-ethyl-butanoate CAS Name: 2-[(cyclohexylamino)-oxomethyl]-2-ethylbutanoate; trimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl(trimethyl)azanium; 2-(cyclohexylcarbamoyl)-2-ethylbutanoate Traditional Name: benzyl(trimethyl)ammonium; 2-(cyclohexylcarbamoyl)-2-ethyl-butyrate Formula: C23H38N2O3 MolecularWeight: 390.55942

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(=O)NC1CCCCC1)C(=O)[O-].C[N+](C)(C)CC1=CC=CC=C1

Isomeric SMILES

CCC(CC)(C(=O)NC1CCCCC1)C(=O)[O-].C[N+](C)(C)CC1=CC=CC=C1

InChI

InChI=1S/C13H23NO3.C10H16N/c1-3-13(4-2,12(16)17)11(15)14-10-8-6-5-7-9-10;1-11(2,3)9-10-7-5-4-6-8-10/h10H,3-9H2,1-2H3,(H,14,15)(H,16,17);4-8H,9H2,1-3H3/q;+1/p-1