[2-dodecyl-3-methyl-6-[(trimethylazaniumyl)methyl]phenyl]methyl-trimethyl-azanium diethanoate

Systemtic Name: [2-dodecyl-3-methyl-6-[(trimethylazaniumyl)methyl]phenyl]methyl-trimethyl-azanium diethanoate Openeye Name: [2-dodecyl-3-methyl-6-[(trimethylammonio)methyl]phenyl]methyl-trimethyl-ammonium diacetate CAS Name: [2-dodecyl-3-methyl-6-[(trimethylammonio)methyl]phenyl]methyl-trimethylammonium diacetate IUPAC Name: [2-dodecyl-3-methyl-6-[(trimethylazaniumyl)methyl]phenyl]methyl-trimethylazanium diacetate Traditional Name: [2-lauryl-3-methyl-6-[(trimethylammonio)methyl]benzyl]-trimethyl-ammonium diacetate Formula: C31H58N2O4 MolecularWeight: 522.80322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C=CC(=C1C[N+](C)(C)C)C[N+](C)(C)C)C.CC(=O)[O-].CC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCC1=C(C=CC(=C1C[N+](C)(C)C)C[N+](C)(C)C)C.CC(=O)[O-].CC(=O)[O-]

InChI

InChI=1S/C27H52N2.2C2H4O2/c1-9-10-11-12-13-14-15-16-17-18-19-26-24(2)20-21-25(22-28(3,4)5)27(26)23-29(6,7)8;2*1-2(3)4/h20-21H,9-19,22-23H2,1-8H3;2*1H3,(H,3,4)/q+2;;/p-2