dodecyl-dimethyl-(phenylmethyl)azanium; phthalic acid

Systemtic Name: dodecyl-dimethyl-(phenylmethyl)azanium; phthalic acid Openeye Name: benzyl-dodecyl-dimethyl-ammonium; phthalic acid CAS Name: dodecyl-dimethyl-(phenylmethyl)ammonium; phthalic acid IUPAC Name: benzyl-dodecyl-dimethylazanium; phthalic acid Traditional Name: benzyl-lauryl-dimethyl-ammonium; phthalic acid Formula: C29H44NO4+ MolecularWeight: 470.66396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H38N.C8H6O4/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;9-7(10)5-3-1-2-4-6(5)8(11)12/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1-4H,(H,9,10)(H,11,12)/q+1;