2-[dimethyl(tetradecan-2-yl)azaniumyl]-2-methyl-5-sulfo-pentanoate

Systemtic Name: 2-[dimethyl(tetradecan-2-yl)azaniumyl]-2-methyl-5-sulfo-pentanoate Openeye Name: 2-[dimethyl(1-methyltridecyl)ammonio]-2-methyl-5-sulfo-pentanoate CAS Name: 2-[dimethyl(tetradecan-2-yl)ammonio]-2-methyl-5-sulfopentanoate IUPAC Name: 2-[dimethyl(tetradecan-2-yl)azaniumyl]-2-methyl-5-sulfopentanoate Traditional Name: 2-[dimethyl(1-methyltridecyl)ammonio]-2-methyl-5-sulfo-valerate Formula: C22H45NO5S MolecularWeight: 435.6614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C)[N+](C)(C)C(C)(CCCS(=O)(=O)O)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCC(C)[N+](C)(C)C(C)(CCCS(=O)(=O)O)C(=O)[O-]

InChI

InChI=1S/C22H45NO5S/c1-6-7-8-9-10-11-12-13-14-15-17-20(2)23(4,5)22(3,21(24)25)18-16-19-29(26,27)28/h20H,6-19H2,1-5H3,(H-,24,25,26,27,28)