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

Systemtic Name: 2-[dimethyl(octadecan-2-yl)azaniumyl]-2-methyl-5-sulfo-pentanoate Openeye Name: 2-[dimethyl(1-methylheptadecyl)ammonio]-2-methyl-5-sulfo-pentanoate CAS Name: 2-[dimethyl(octadecan-2-yl)ammonio]-2-methyl-5-sulfopentanoate IUPAC Name: 2-[dimethyl(octadecan-2-yl)azaniumyl]-2-methyl-5-sulfopentanoate Traditional Name: 2-[dimethyl(1-methylheptadecyl)ammonio]-2-methyl-5-sulfo-valerate Formula: C26H53NO5S MolecularWeight: 491.76772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H53NO5S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(2)27(4,5)26(3,25(28)29)22-20-23-33(30,31)32/h24H,6-23H2,1-5H3,(H-,28,29,30,31,32)