(2-dodecylphenyl)methyl-dimethyl-(3-sulfopropyl)azanium

Systemtic Name: (2-dodecylphenyl)methyl-dimethyl-(3-sulfopropyl)azanium Openeye Name: (2-dodecylphenyl)methyl-dimethyl-(3-sulfopropyl)ammonium CAS Name: (2-dodecylphenyl)methyl-dimethyl-(3-sulfopropyl)ammonium IUPAC Name: (2-dodecylphenyl)methyl-dimethyl-(3-sulfopropyl)azanium Traditional Name: (2-laurylbenzyl)-dimethyl-(3-sulfopropyl)ammonium Formula: C24H44NO3S+ MolecularWeight: 426.67606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H43NO3S/c1-4-5-6-7-8-9-10-11-12-13-17-23-18-14-15-19-24(23)22-25(2,3)20-16-21-29(26,27)28/h14-15,18-19H,4-13,16-17,20-22H2,1-3H3/p+1