3-(hexadecanoylamino)propyl-dimethyl-[(4-sulfophenyl)methyl]azanium

Systemtic Name: 3-(hexadecanoylamino)propyl-dimethyl-[(4-sulfophenyl)methyl]azanium Openeye Name: 3-(hexadecanoylamino)propyl-dimethyl-[(4-sulfophenyl)methyl]ammonium CAS Name: dimethyl-[3-(1-oxohexadecylamino)propyl]-[(4-sulfophenyl)methyl]ammonium IUPAC Name: 3-(hexadecanoylamino)propyl-dimethyl-[(4-sulfophenyl)methyl]azanium Traditional Name: dimethyl-(3-palmitamidopropyl)-(4-sulfobenzyl)ammonium Formula: C28H51N2O4S+ MolecularWeight: 511.78054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C28H50N2O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-28(31)29-23-17-24-30(2,3)25-26-19-21-27(22-20-26)35(32,33)34/h19-22H,4-18,23-25H2,1-3H3,(H-,29,31,32,33,34)/p+1