dimethyl-octadecyl-[(4-sulfophenyl)methyl]azanium

Systemtic Name: dimethyl-octadecyl-[(4-sulfophenyl)methyl]azanium Openeye Name: dimethyl-octadecyl-[(4-sulfophenyl)methyl]ammonium CAS Name: dimethyl-octadecyl-[(4-sulfophenyl)methyl]ammonium IUPAC Name: dimethyl-octadecyl-[(4-sulfophenyl)methyl]azanium Traditional Name: dimethyl-stearyl-(4-sulfobenzyl)ammonium Formula: C27H50NO3S+ MolecularWeight: 468.7558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H49NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-28(2,3)25-26-20-22-27(23-21-26)32(29,30)31/h20-23H,4-19,24-25H2,1-3H3/p+1