2-ethylhexanoate; trimethyl(1-phenyltridecyl)azanium

Systemtic Name: 2-ethylhexanoate; trimethyl(1-phenyltridecyl)azanium Openeye Name: 2-ethylhexanoate; trimethyl(1-phenyltridecyl)ammonium CAS Name: 2-ethylhexanoate; trimethyl(1-phenyltridecyl)ammonium IUPAC Name: 2-ethylhexanoate; trimethyl(1-phenyltridecyl)azanium Traditional Name: 2-ethylhexanoate; trimethyl(1-phenyltridecyl)ammonium Formula: C30H55NO2 MolecularWeight: 461.7632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H40N.C8H16O2/c1-5-6-7-8-9-10-11-12-13-17-20-22(23(2,3)4)21-18-15-14-16-19-21;1-3-5-6-7(4-2)8(9)10/h14-16,18-19,22H,5-13,17,20H2,1-4H3;7H,3-6H2,1-2H3,(H,9,10)/q+1;/p-1