dodecyl-methyl-(phenylmethyl)-(2-sulfoethyl)azanium

Systemtic Name: dodecyl-methyl-(phenylmethyl)-(2-sulfoethyl)azanium Openeye Name: benzyl-dodecyl-methyl-(2-sulfoethyl)ammonium CAS Name: dodecyl-methyl-(phenylmethyl)-(2-sulfoethyl)ammonium IUPAC Name: benzyl-dodecyl-methyl-(2-sulfoethyl)azanium Traditional Name: benzyl-lauryl-methyl-(2-sulfoethyl)ammonium Formula: C22H40NO3S+ MolecularWeight: 398.6229

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(CCS(=O)(=O)O)CC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(CCS(=O)(=O)O)CC1=CC=CC=C1

InChI

InChI=1S/C22H39NO3S/c1-3-4-5-6-7-8-9-10-11-15-18-23(2,19-20-27(24,25)26)21-22-16-13-12-14-17-22/h12-14,16-17H,3-11,15,18-21H2,1-2H3/p+1