2-ethylhexanoate; trimethyl-(phenylmethyl)azanium

Systemtic Name: 2-ethylhexanoate; trimethyl-(phenylmethyl)azanium Openeye Name: benzyl(trimethyl)ammonium; 2-ethylhexanoate CAS Name: 2-ethylhexanoate; trimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl(trimethyl)azanium; 2-ethylhexanoate Traditional Name: benzyl(trimethyl)ammonium; 2-ethylhexanoate Formula: C18H31NO2 MolecularWeight: 293.44424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H16N.C8H16O2/c1-11(2,3)9-10-7-5-4-6-8-10;1-3-5-6-7(4-2)8(9)10/h4-8H,9H2,1-3H3;7H,3-6H2,1-2H3,(H,9,10)/q+1;/p-1