(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate; trimethyl-(phenylmethyl)azanium

Systemtic Name: (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate; trimethyl-(phenylmethyl)azanium Openeye Name: benzyl(trimethyl)ammonium; (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate CAS Name: (5E,8E,11E,14E)-eicosa-5,8,11,14-tetraenoate; trimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl(trimethyl)azanium; (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate Traditional Name: benzyl(trimethyl)ammonium; (5E,8E,11E,14E)-eicosa-5,8,11,14-tetraenoate Formula: C30H47NO2 MolecularWeight: 453.69968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32O2.C10H16N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;1-11(2,3)9-10-7-5-4-6-8-10/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22);4-8H,9H2,1-3H3/q;+1/p-1/b7-6+,10-9+,13-12+,16-15+;