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

Systemtic Name: hexadecyl-dimethyl-[(4-sulfophenyl)methyl]azanium Openeye Name: hexadecyl-dimethyl-[(4-sulfophenyl)methyl]ammonium CAS Name: hexadecyl-dimethyl-[(4-sulfophenyl)methyl]ammonium IUPAC Name: hexadecyl-dimethyl-[(4-sulfophenyl)methyl]azanium Traditional Name: cetyl-dimethyl-(4-sulfobenzyl)ammonium Formula: C25H46NO3S+ MolecularWeight: 440.70264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H45NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-26(2,3)23-24-18-20-25(21-19-24)30(27,28)29/h18-21H,4-17,22-23H2,1-3H3/p+1